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From: beeblbrox <bee...@us...> - 2008-04-01 19:57:19
|
Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv5915/GUI/Windows/Qt/EChem++/Model Modified Files: batchExperimentDialogBase.ui equilibriumDialogBase.ui experimentDialogBase.ui mechanismDialogBase.ui solverDialogBase.ui svmDataDialogBase.ui svmParametersDialogBase.ui Log Message: Fixed UI to use auto-resize function, causing dialogs to resize properly. Index: svmDataDialogBase.ui =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/svmDataDialogBase.ui,v retrieving revision 1.2 retrieving revision 1.3 diff -C2 -d -r1.2 -r1.3 *** svmDataDialogBase.ui 27 Mar 2008 13:11:55 -0000 1.2 --- svmDataDialogBase.ui 1 Apr 2008 19:57:14 -0000 1.3 *************** *** 9,14 **** <x>0</x> <y>0</y> ! <width>350</width> ! <height>250</height> </rect> </property> --- 9,14 ---- <x>0</x> <y>0</y> ! <width>386</width> ! <height>295</height> </rect> </property> *************** *** 25,217 **** <bool>false</bool> </property> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout87</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>10</y> ! <width>313</width> ! <height>224</height> ! </rect> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QButtonGroup"> ! <property name="name"> ! <cstring>buttonGroup7</cstring> ! </property> ! <property name="title"> ! <string>Training set</string> ! </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>stratifiedCheckBox</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>160</x> ! <y>40</y> ! <width>131</width> ! <height>31</height> ! </rect> ! </property> ! <property name="text"> ! <string>Stratified samples</string> ! </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>textLabel12</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>30</y> ! <width>120</width> ! <height>21</height> ! </rect> ! </property> ! <property name="text"> ! <string>Number of patterns</string> ! </property> ! </widget> ! <widget class="QSpinBox"> ! <property name="name"> ! <cstring>numTrainSpinBox</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>50</y> ! <width>91</width> ! <height>21</height> ! </rect> ! </property> ! <property name="maxValue"> ! <number>100000</number> ! </property> ! </widget> ! </widget> ! <widget class="QButtonGroup"> ! <property name="name"> ! <cstring>buttonGroup8</cstring> ! </property> ! <property name="title"> ! <string>Test set</string> ! </property> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>textLabel12_2</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>20</y> ! <width>120</width> ! <height>21</height> ! </rect> ! </property> ! <property name="text"> ! <string>Number of patterns</string> ! </property> ! </widget> ! <widget class="QSpinBox"> ! <property name="name"> ! <cstring>numTestSpinBox</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>40</y> ! <width>91</width> ! <height>21</height> ! </rect> ! </property> ! </widget> ! </widget> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>Layout1</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> ! </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QPushButton"> <property name="name"> ! <cstring>buttonHelp</cstring> ! </property> ! <property name="text"> ! <string>&Help</string> </property> ! <property name="accel"> ! <string>F1</string> </property> ! <property name="autoDefault"> ! <bool>true</bool> </property> </widget> ! <spacer> <property name="name"> ! <cstring>Horizontal Spacing2</cstring> ! </property> ! <property name="orientation"> ! <enum>Horizontal</enum> </property> ! <property name="sizeType"> ! <enum>Expanding</enum> </property> ! <property name="sizeHint"> ! <size> ! <width>20</width> ! <height>20</height> ! </size> </property> ! </spacer> ! <widget class="QPushButton"> <property name="name"> ! <cstring>buttonOk</cstring> </property> <property name="text"> ! <string>&OK</string> </property> ! <property name="accel"> ! <string></string> </property> ! <property name="autoDefault"> ! <bool>true</bool> </property> ! <property name="default"> ! <bool>true</bool> </property> </widget> ! <widget class="QPushButton"> <property name="name"> ! <cstring>buttonCancel</cstring> </property> ! <property name="text"> ! <string>&Cancel</string> </property> ! <property name="accel"> ! <string></string> </property> ! <property name="autoDefault"> ! <bool>true</bool> </property> ! </widget> ! </hbox> ! </widget> ! </vbox> ! </widget> </widget> <connections> --- 25,214 ---- <bool>false</bool> </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout87</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QButtonGroup"> <property name="name"> ! <cstring>buttonGroup7</cstring> </property> ! <property name="title"> ! <string>Training set</string> </property> ! <widget class="QSpinBox"> <property name="name"> ! <cstring>numTrainSpinBox</cstring> </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>50</y> ! <width>91</width> ! <height>21</height> ! </rect> </property> ! <property name="maxValue"> ! <number>100000</number> </property> </widget> ! <widget class="QLabel"> <property name="name"> ! <cstring>textLabel12</cstring> </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>30</y> ! <width>160</width> ! <height>21</height> ! </rect> </property> ! <property name="text"> ! <string>Number of patterns</string> </property> ! </widget> ! <widget class="QCheckBox"> <property name="name"> ! <cstring>stratifiedCheckBox</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>160</x> ! <y>50</y> ! <width>180</width> ! <height>31</height> ! </rect> </property> <property name="text"> ! <string>Stratified samples</string> </property> ! </widget> ! </widget> ! <widget class="QButtonGroup"> ! <property name="name"> ! <cstring>buttonGroup8</cstring> ! </property> ! <property name="title"> ! <string>Test set</string> ! </property> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>textLabel12_2</cstring> </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>20</y> ! <width>120</width> ! <height>21</height> ! </rect> </property> ! <property name="text"> ! <string>Number of patterns</string> </property> </widget> ! <widget class="QSpinBox"> <property name="name"> ! <cstring>numTestSpinBox</cstring> </property> ! <property name="geometry"> ! <rect> ! <x>20</x> ! <y>40</y> ! <width>91</width> ! <height>21</height> ! </rect> </property> ! </widget> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>Layout1</cstring> ! </property> ! <hbox> ! <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> ! </property> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>buttonHelp</cstring> ! </property> ! <property name="text"> ! <string>&Help</string> ! </property> ! <property name="accel"> ! <string>F1</string> ! </property> ! <property name="autoDefault"> ! <bool>true</bool> ! </property> ! </widget> ! <spacer> ! <property name="name"> ! <cstring>Horizontal Spacing2</cstring> ! </property> ! <property name="orientation"> ! <enum>Horizontal</enum> ! </property> ! <property name="sizeType"> ! <enum>Expanding</enum> ! </property> ! <property name="sizeHint"> ! <size> ! <width>20</width> ! <height>20</height> ! </size> ! </property> ! </spacer> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>buttonOk</cstring> ! </property> ! <property name="text"> ! <string>&OK</string> ! </property> ! <property name="accel"> ! <string></string> ! </property> ! <property name="autoDefault"> ! <bool>true</bool> ! </property> ! <property name="default"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>buttonCancel</cstring> ! </property> ! <property name="text"> ! <string>&Cancel</string> ! </property> ! <property name="accel"> ! <string></string> ! </property> ! <property name="autoDefault"> ! <bool>true</bool> ! </property> ! </widget> ! </hbox> ! </widget> ! </vbox> ! </widget> ! </grid> </widget> <connections> Index: mechanismDialogBase.ui =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/mechanismDialogBase.ui,v retrieving revision 1.5 retrieving revision 1.6 diff -C2 -d -r1.5 -r1.6 *** mechanismDialogBase.ui 6 Jun 2006 11:09:58 -0000 1.5 --- mechanismDialogBase.ui 1 Apr 2008 19:57:10 -0000 1.6 *************** *** 9,14 **** <x>0</x> <y>0</y> ! <width>519</width> ! <height>275</height> </rect> </property> --- 9,14 ---- <x>0</x> <y>0</y> ! <width>570</width> ! <height>370</height> </rect> </property> Index: equilibriumDialogBase.ui =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/equilibriumDialogBase.ui,v retrieving revision 1.17 retrieving revision 1.18 diff -C2 -d -r1.17 -r1.18 *** equilibriumDialogBase.ui 27 Mar 2008 13:11:51 -0000 1.17 --- equilibriumDialogBase.ui 1 Apr 2008 19:57:10 -0000 1.18 *************** *** 12,23 **** <x>0</x> <y>0</y> ! <width>650</width> ! <height>370</height> </rect> </property> <property name="minimumSize"> <size> ! <width>650</width> ! <height>370</height> </size> </property> --- 12,23 ---- <x>0</x> <y>0</y> ! <width>667</width> ! <height>411</height> </rect> </property> <property name="minimumSize"> <size> ! <width>0</width> ! <height>0</height> </size> </property> *************** *** 38,460 **** </property> <property name="sizeGripEnabled"> ! <bool>false</bool> </property> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout15</cstring> ! </property> ! <property name="geometry"> ! <rect> ! <x>10</x> ! <y>10</y> ! <width>620</width> ! <height>340</height> ! </rect> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout14</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QButtonGroup"> <property name="name"> ! <cstring>_equilibriumGroup</cstring> ! </property> ! <property name="title"> ! <string>Initially at Equilibrium</string> </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout11</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_homCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Homogeneous Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_adsCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Adsorptions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_homSurfCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Homogeneous Surface Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> <property name="name"> ! <cstring>_hetSurfCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Heterogeneous Surface Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> </property> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! <widget class="QButtonGroup"> ! <property name="name"> ! <cstring>_visGroup</cstring> ! </property> ! <property name="title"> ! <string>Visualization of Time / Concentration Plots</string> ! </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout95</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_plotDissCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Dissolved Species</string> ! </property> ! <property name="checked"> ! <bool>false</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> <property name="name"> ! <cstring>_plotAdsCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Adsorbed Species</string> ! </property> ! <property name="checked"> ! <bool>false</bool> </property> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! </hbox> ! </widget> ! <widget class="QButtonGroup"> ! <property name="name"> ! <cstring>_solverGroup</cstring> ! </property> ! <property name="title"> ! <string>Equilibrium Solver</string> ! </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout94</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_thermCheckBox</cstring> ! </property> ! <property name="enabled"> ! <bool>false</bool> ! </property> ! <property name="text"> ! <string>Thermodynamic Calculations</string> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_kinCheckBox</cstring> ! </property> ! <property name="enabled"> ! <bool>false</bool> ! </property> ! <property name="text"> ! <string>Kinetic Calculations</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout5</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QLineEdit"> ! <property name="name"> ! <cstring>_maxTimeLineEdit</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="alignment"> ! <set>AlignRight</set> ! </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>maxTimeTextLabel</cstring> ! </property> ! <property name="text"> ! <string>Maximal Time / s</string> ! </property> ! </widget> ! </hbox> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>layout6</cstring> ! </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QLineEdit"> <property name="name"> ! <cstring>_accuracyLineEdit</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="alignment"> ! <set>AlignRight</set> </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>accuracyTextLabel</cstring> </property> ! <property name="text"> ! <string>Accuracy</string> </property> ! </widget> ! </hbox> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>layout7</cstring> ! </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> ! </property> ! <property name="margin"> ! <number>0</number> ! </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QLineEdit"> <property name="name"> ! <cstring>_initStepLineEdit</cstring> </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> </property> ! <property name="alignment"> ! <set>AlignRight</set> </property> ! </widget> ! <widget class="QLabel"> <property name="name"> ! <cstring>initStepTextLabel</cstring> </property> ! <property name="text"> ! <string>Initial Stepsize</string> </property> ! </widget> ! </hbox> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>layout13</cstring> ! </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_pbHelp</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>1</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="text"> ! <string>Help</string> ! </property> ! <property name="accel"> ! <string></string> ! </property> ! </widget> ! <spacer> ! <property name="name"> ! <cstring>spacer2</cstring> ! </property> ! <property name="orientation"> ! <enum>Horizontal</enum> ! </property> ! <property name="sizeType"> ! <enum>Expanding</enum> ! </property> ! <property name="sizeHint"> ! <size> ! <width>41</width> ! <height>31</height> ! </size> ! </property> ! </spacer> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_loadButton</cstring> ! </property> ! <property name="text"> ! <string>&Load</string> ! </property> ! <property name="accel"> ! <string>Alt+L</string> ! </property> ! </widget> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_saveButton</cstring> ! </property> ! <property name="text"> ! <string>&Save</string> ! </property> ! <property name="accel"> ! <string>Alt+S</string> ! </property> ! </widget> ! <spacer> ! <property name="name"> ! <cstring>spacer3</cstring> ! </property> ! <property name="orientation"> ! <enum>Horizontal</enum> ! </property> ! <property name="sizeType"> ! <enum>Expanding</enum> ! </property> ! <property name="sizeHint"> ! <size> ! <width>41</width> ! <height>31</height> ! </size> ! </property> ! </spacer> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_applyButton</cstring> ! </property> ! <property name="text"> ! <string>Apply</string> ! </property> ! </widget> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_okButton</cstring> ! </property> ! <property name="text"> ! <string>Ok</string> ! </property> ! </widget> ! <widget class="QPushButton"> <property name="name"> ! <cstring>_cancelButton</cstring> ! </property> ! <property name="text"> ! <string>Cancel</string> </property> ! </widget> ! </hbox> ! </widget> ! </vbox> ! </widget> </widget> <connections> --- 38,457 ---- </property> <property name="sizeGripEnabled"> ! <bool>true</bool> </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout15</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout14</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QButtonGroup"> <property name="name"> ! <cstring>_equilibriumGroup</cstring> </property> ! <property name="title"> ! <string>Initially at Equilibrium</string> ! </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout11</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_homCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Homogeneous Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_adsCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Adsorptions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_homSurfCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Homogeneous Surface Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_hetSurfCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Heterogeneous Surface Reactions</string> ! </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! <widget class="QButtonGroup"> <property name="name"> ! <cstring>_visGroup</cstring> </property> ! <property name="title"> ! <string>Visualization of Time / Concentration Plots</string> ! </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout95</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_plotDissCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Dissolved Species</string> ! </property> ! <property name="checked"> ! <bool>false</bool> ! </property> ! </widget> ! <widget class="QCheckBox"> ! <property name="name"> ! <cstring>_plotAdsCheckBox</cstring> ! </property> ! <property name="text"> ! <string>Adsorbed Species</string> ! </property> ! <property name="checked"> ! <bool>false</bool> ! </property> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! </hbox> ! </widget> ! <widget class="QButtonGroup"> <property name="name"> ! <cstring>_solverGroup</cstring> </property> ! <property name="title"> ! <string>Equilibrium Solver</string> ! </property> ! <grid> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QLayoutWidget" row="0" column="0"> <property name="name"> ! <cstring>layout94</cstring> </property> ! <vbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QCheckBox"> <property name="name"> ! <cstring>_thermCheckBox</cstring> </property> ! <property name="enabled"> ! <bool>false</bool> </property> ! <property name="text"> ! <string>Thermodynamic Calculations</string> </property> ! </widget> ! <widget class="QCheckBox"> <property name="name"> ! <cstring>_kinCheckBox</cstring> </property> ! <property name="enabled"> ! <bool>false</bool> </property> ! <property name="text"> ! <string>Kinetic Calculations</string> </property> ! <property name="checked"> ! <bool>true</bool> ! </property> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>layout5</cstring> ! </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QLineEdit"> ! <property name="name"> ! <cstring>_maxTimeLineEdit</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="alignment"> ! <set>AlignRight</set> ! </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>maxTimeTextLabel</cstring> ! </property> ! <property name="text"> ! <string>Maximal Time / s</string> ! </property> ! </widget> ! </hbox> ! </widget> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout6</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> </property> ! <widget class="QLineEdit"> ! <property name="name"> ! <cstring>_accuracyLineEdit</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="alignment"> ! <set>AlignRight</set> ! </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>accuracyTextLabel</cstring> ! </property> ! <property name="text"> ! <string>Accuracy</string> ! </property> ! </widget> ! </hbox> ! </widget> ! <widget class="QLayoutWidget"> ! <property name="name"> ! <cstring>layout7</cstring> ! </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <property name="margin"> ! <number>0</number> </property> ! <property name="spacing"> ! <number>6</number> ! </property> ! <widget class="QLineEdit"> ! <property name="name"> ! <cstring>_initStepLineEdit</cstring> ! </property> ! <property name="sizePolicy"> ! <sizepolicy> ! <hsizetype>0</hsizetype> ! <vsizetype>0</vsizetype> ! <horstretch>0</horstretch> ! <verstretch>0</verstretch> ! </sizepolicy> ! </property> ! <property name="alignment"> ! <set>AlignRight</set> ! </property> ! </widget> ! <widget class="QLabel"> ! <property name="name"> ! <cstring>initStepTextLabel</cstring> ! </property> ! <property name="text"> ! <string>Initial Stepsize</string> ! </property> ! </widget> ! </hbox> ! </widget> ! </vbox> ! </widget> ! </grid> ! </widget> ! <widget class="QLayoutWidget"> <property name="name"> ! <cstring>layout13</cstring> </property> ! <hbox> <property name="name"> ! <cstring>unnamed</cstring> </property> ! <widget class="QPushButton"> ! <property name="name"> ! <cstring>_pbHe... 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Update of /cvsroot/echempp/examples In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv24029 Modified Files: example1.xml example2.xml example3.xml example4.xml example5.xml example6.xml example7.xml example8.xml example9.xml Log Message: corrected newlines in mechanism string Index: example5.xml =================================================================== RCS file: /cvsroot/echempp/examples/example5.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example5.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example5.xml 1 Apr 2008 12:06:20 -0000 1.5 *************** *** 188,196 **** <mechanism>A <=> B + e-; b<0>; B + C --> D; ! r = kf1*c<B>; ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 188,192 ---- <mechanism>A <=> B + e-; b<0>; B + C --> D; ! r = kf1*c<B>;</mechanism> <activeBoundaries> <count>1</count> Index: example1.xml =================================================================== RCS file: /cvsroot/echempp/examples/example1.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example1.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example1.xml 1 Apr 2008 12:06:19 -0000 1.5 *************** *** 186,194 **** <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>; ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 186,190 ---- <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>;</mechanism> <activeBoundaries> <count>1</count> Index: example8.xml =================================================================== RCS file: /cvsroot/echempp/examples/example8.xml,v retrieving revision 1.5 retrieving revision 1.6 diff -C2 -d -r1.5 -r1.6 *** example8.xml 27 Mar 2008 17:56:23 -0000 1.5 --- example8.xml 1 Apr 2008 12:06:22 -0000 1.6 *************** *** 212,221 **** <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>; ! ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 212,216 ---- <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>;</mechanism> <activeBoundaries> <count>1</count> Index: example2.xml =================================================================== RCS file: /cvsroot/echempp/examples/example2.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example2.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example2.xml 1 Apr 2008 12:06:19 -0000 1.5 *************** *** 187,194 **** <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B <=> C + e-; b<0>; ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 187,191 ---- <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B <=> C + e-; b<0>;</mechanism> <activeBoundaries> <count>1</count> Index: example4.xml =================================================================== RCS file: /cvsroot/echempp/examples/example4.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example4.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example4.xml 1 Apr 2008 12:06:20 -0000 1.5 *************** *** 187,194 **** <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B --> C; ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 187,191 ---- <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B --> C;</mechanism> <activeBoundaries> <count>1</count> Index: example9.xml =================================================================== RCS file: /cvsroot/echempp/examples/example9.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example9.xml 27 Mar 2008 16:54:30 -0000 1.4 --- example9.xml 1 Apr 2008 12:06:23 -0000 1.5 *************** *** 268,277 **** <mechanism>A <=> B + e-; b<0>; C + B <=> 2 A; ! A + e- <=> C; b<1>; ! ! ! ! ! </mechanism> <activeBoundaries> <count>2</count> --- 268,272 ---- <mechanism>A <=> B + e-; b<0>; C + B <=> 2 A; ! A + e- <=> C; b<1>;</mechanism> <activeBoundaries> <count>2</count> Index: example7.xml =================================================================== RCS file: /cvsroot/echempp/examples/example7.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example7.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example7.xml 1 Apr 2008 12:06:21 -0000 1.5 *************** *** 188,196 **** <mechanism>A <=> B + e-; b<0>; A{ads} <=> B{ads} + e-; b<0>; ! A <=> A{ads}; b<0>; ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 188,192 ---- <mechanism>A <=> B + e-; b<0>; A{ads} <=> B{ads} + e-; b<0>; ! A <=> A{ads}; b<0>;</mechanism> <activeBoundaries> <count>1</count> Index: example6.xml =================================================================== RCS file: /cvsroot/echempp/examples/example6.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example6.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example6.xml 1 Apr 2008 12:06:21 -0000 1.5 *************** *** 188,196 **** <mechanism>A <=> B + e-; b<0>; A{ads} <=> B{ads} + e-; b<0>; ! A <=> A{ads}; b<0>; ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 188,192 ---- <mechanism>A <=> B + e-; b<0>; A{ads} <=> B{ads} + e-; b<0>; ! A <=> A{ads}; b<0>;</mechanism> <activeBoundaries> <count>1</count> Index: example3.xml =================================================================== RCS file: /cvsroot/echempp/examples/example3.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example3.xml 27 Mar 2008 16:54:29 -0000 1.4 --- example3.xml 1 Apr 2008 12:06:19 -0000 1.5 *************** *** 187,194 **** <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B --> C; ! ! ! </mechanism> <activeBoundaries> <count>1</count> --- 187,191 ---- <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B --> C;</mechanism> <activeBoundaries> <count>1</count> |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:54:05
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Update of /cvsroot/echempp/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv9583 Modified Files: Notes.log Log Message: Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/documentation/Notes.log,v retrieving revision 1.14 retrieving revision 1.15 diff -C2 -d -r1.14 -r1.15 *** Notes.log 17 Mar 2008 20:30:39 -0000 1.14 --- Notes.log 29 Mar 2008 11:54:01 -0000 1.15 *************** *** 228,229 **** --- 228,235 ---- (2) gmm 1.7: in dal_std.h: add #include <climits> after line 99 (#include <limits>) + + 27.03.2008 + + comment to entry 17.03.2008, item (2): + in gmm 2.0.2 the line number is a little different, but make sure that + both limits and climits are included. |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:25
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Update of /cvsroot/echempp/Experiment/Experiment In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Experiment/Experiment Modified Files: Makefile.am Log Message: adapted to gcc 4.3.0 Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/Makefile.am,v retrieving revision 1.16 retrieving revision 1.17 diff -C2 -d -r1.16 -r1.17 *** Makefile.am 27 Mar 2008 13:04:27 -0000 1.16 --- Makefile.am 29 Mar 2008 11:51:09 -0000 1.17 *************** *** 15,19 **** documentation/Notes.log ! libeppExperiment_la_CXXFLAGS = -Wall -Werror -pedantic-errors libeppExperiment_la_LDFLAGS = $(EXPERIMENT_LDFLAGS) -version-info 0:5:0 --- 15,20 ---- documentation/Notes.log ! # -Wno-parentheses -Wno-long-long are needed to compile boost 1.34 with gcc 4.3.0 ! libeppExperiment_la_CXXFLAGS = -Wall -Werror -Wno-parentheses -Wno-long-long -pedantic-errors libeppExperiment_la_LDFLAGS = $(EXPERIMENT_LDFLAGS) -version-info 0:5:0 |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:22
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Update of /cvsroot/echempp/Model/Ecco/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Model/Ecco/documentation Modified Files: Notes.log Log Message: adapted to gcc 4.3.0 Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/documentation/Notes.log,v retrieving revision 1.9 retrieving revision 1.10 diff -C2 -d -r1.9 -r1.10 *** Notes.log 27 Mar 2007 12:54:01 -0000 1.9 --- Notes.log 29 Mar 2008 11:51:10 -0000 1.10 *************** *** 80,81 **** --- 80,99 ---- (gcc 4.3.0, snapshot 20070316). + + 28.02.2008 + + current cvs version compiles with gcc 4.1.2 and boost 1.34 + + using final gcc 4.3.0 release; some changes ralated to the use of this + compiler version: + + (1) added in Makefile.am: -Werror -Wno-parentheses due to + boost library + + (2) added in tree_preparator.cpp: #include<cstring> before + boost included (relocation of some STL stuff in gcc 4.3.0) + + (3) added in lawOfMassAction.hpp: initialization of sk to zero and check + if being set sometime before use (bool variable sk_test). This must be tested + by using Ecco after compilation. + |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:22
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Update of /cvsroot/echempp/Model/Ecco In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Model/Ecco Modified Files: Makefile.am lawOfMassAction.hpp treePreparator.cpp Log Message: adapted to gcc 4.3.0 Index: lawOfMassAction.hpp =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/lawOfMassAction.hpp,v retrieving revision 1.11 retrieving revision 1.12 diff -C2 -d -r1.11 -r1.12 *** lawOfMassAction.hpp 27 Mar 2007 12:54:00 -0000 1.11 --- lawOfMassAction.hpp 29 Mar 2008 11:51:09 -0000 1.12 *************** *** 181,186 **** int nEducts = _educts.count(s); int nProducts = _products.count(s); ! uint_t index, sk; std::map<uint_t,double >::const_iterator p = _educts.begin(); if( (nEducts != 0) | (nProducts != 0) ) --- 181,193 ---- int nEducts = _educts.count(s); int nProducts = _products.count(s); ! ! // 28.3.2008: initialized sk - unitialized warning was issued by gcc 4.3.0 ! // initialization to zero should be ok, if we test for sk to be set sometime ! // before use (sk_test) ! ! uint_t index, sk = 0; std::map<uint_t,double >::const_iterator p = _educts.begin(); + + bool sk_test = false; if( (nEducts != 0) | (nProducts != 0) ) *************** *** 198,201 **** --- 205,209 ---- ek = power; sk = index; + sk_test = true; } } *************** *** 214,217 **** --- 222,226 ---- pk = power; sk = index; + sk_test = true; } } *************** *** 224,229 **** else { ! f = (pk-ek)*pow( concs[sk], pk-ek-1 ); ! return f*pro/edu; } } --- 233,243 ---- else { ! if (sk_test) ! { ! f = (pk-ek)*pow( concs[sk], pk-ek-1 ); ! return f*pro/edu; ! } ! else ! throw EccoError("Wrong s in LawOfMassAction::partial() !"); } } Index: treePreparator.cpp =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/treePreparator.cpp,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** treePreparator.cpp 20 May 2005 15:32:26 -0000 1.4 --- treePreparator.cpp 29 Mar 2008 11:51:09 -0000 1.5 *************** *** 25,28 **** --- 25,30 ---- */ + #include <cstring> + #include "Ecco/treePreparator.hpp" Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/Makefile.am,v retrieving revision 1.37 retrieving revision 1.38 diff -C2 -d -r1.37 -r1.38 *** Makefile.am 27 Mar 2008 13:04:28 -0000 1.37 --- Makefile.am 29 Mar 2008 11:51:09 -0000 1.38 *************** *** 180,184 **** # options -Werror can not be used since spirit produces parentheses warnings # should be re-introduced later with a more recent spirit version ! libeppEcco_la_CXXFLAGS = -Wall -pedantic-errors -Wno-long-long libeppEcco_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 3:0:0 --- 180,185 ---- # options -Werror can not be used since spirit produces parentheses warnings # should be re-introduced later with a more recent spirit version ! # better used -Werror -Wno-parentheses now, and make more stringent again later ! libeppEcco_la_CXXFLAGS = -Wall -Werror -Wno-parentheses -pedantic-errors -Wno-long-long libeppEcco_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 3:0:0 |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:22
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Update of /cvsroot/echempp/Analysis/Data/test In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Analysis/Data/test Modified Files: Makefile.am dataTest.cpp Log Message: adapted to gcc 4.3.0 Index: dataTest.cpp =================================================================== RCS file: /cvsroot/echempp/Analysis/Data/test/dataTest.cpp,v retrieving revision 1.8 retrieving revision 1.9 diff -C2 -d -r1.8 -r1.9 *** dataTest.cpp 4 Dec 2005 21:42:40 -0000 1.8 --- dataTest.cpp 29 Mar 2008 11:51:09 -0000 1.9 *************** *** 94,98 **** prof.push_back(std::sin(t)); if( t < 0.4 ) t += 0.1; ! else if( t >= 0.4 & t < 0.7 ) t+=0.05; else if( t >= 0.7 ) t+=0.1; } --- 94,98 ---- prof.push_back(std::sin(t)); if( t < 0.4 ) t += 0.1; ! else if( (t >= 0.4) & (t < 0.7) ) t+=0.05; else if( t >= 0.7 ) t+=0.1; } Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Analysis/Data/test/Makefile.am,v retrieving revision 1.9 retrieving revision 1.10 diff -C2 -d -r1.9 -r1.10 *** Makefile.am 16 May 2006 06:40:41 -0000 1.9 --- Makefile.am 29 Mar 2008 11:51:09 -0000 1.10 *************** *** 8,12 **** -lloki ! dataTest_CXXFLAGS = -DTIXML_USE_STL -Wall -Werror -pedantic-errors INCLUDES = -I$(top_srcdir) \ -I$(top_srcdir)/../Experiment \ --- 8,12 ---- -lloki ! dataTest_CXXFLAGS = -Wall -Werror -pedantic-errors INCLUDES = -I$(top_srcdir) \ -I$(top_srcdir)/../Experiment \ |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:22
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Update of /cvsroot/echempp/Experiment/InputFilters/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Experiment/InputFilters/documentation Modified Files: Notes.log Log Message: adapted to gcc 4.3.0 Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Experiment/InputFilters/documentation/Notes.log,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** Notes.log 27 Mar 2008 13:20:47 -0000 1.4 --- Notes.log 29 Mar 2008 11:51:09 -0000 1.5 *************** *** 1,6 **** - 27.03.2008 - New framework for InputFilters with example implementations for reading BAS - files with CV, CA, CC measurements and ASCII export files as written by ModSim. - 05.06.2006 --- 1,2 ---- *************** *** 12,13 **** --- 8,14 ---- InputFilterErrors - check file open (association to an istream). + + 27.03.2008 + New framework for InputFilters with example implementations for reading BAS + files with CV, CA, CC measurements and ASCII export files as written by ModSim. + |
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From: Bernd S. <ber...@us...> - 2008-03-29 11:51:22
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Update of /cvsroot/echempp/Experiment/Experiment/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv8705/Experiment/Experiment/documentation Modified Files: Notes.log Log Message: adapted to gcc 4.3.0 Index: Notes.log =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/documentation/Notes.log,v retrieving revision 1.21 retrieving revision 1.22 diff -C2 -d -r1.21 -r1.22 *** Notes.log 22 Jan 2008 21:16:13 -0000 1.21 --- Notes.log 29 Mar 2008 11:51:09 -0000 1.22 *************** *** 216,220 **** For compilation with gcc-4.3, there need a patch in boost to be done: ! substitute in boost/date_time/date_facegt (line 432) typedef special_values_parser<date_type,CharT> special_values_parser_type; --- 216,220 ---- For compilation with gcc-4.3, there need a patch in boost to be done: ! substitute in boost/date_time/date_facet.hpp (line 432; boost 1.34.1) typedef special_values_parser<date_type,CharT> special_values_parser_type; |
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From: beeblbrox <bee...@us...> - 2008-03-27 17:56:29
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Update of /cvsroot/echempp/examples In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv5030 Modified Files: example8.xml Log Message: Turned on response viz. Index: example8.xml =================================================================== RCS file: /cvsroot/echempp/examples/example8.xml,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** example8.xml 27 Mar 2008 16:54:30 -0000 1.4 --- example8.xml 27 Mar 2008 17:56:23 -0000 1.5 *************** *** 492,496 **** </sc> <vic class_id="63" tracking_level="0" version="0"> ! <visResponse>0</visResponse> <visSurfaceConc>0</visSurfaceConc> <visStepSizes>0</visStepSizes> --- 492,496 ---- </sc> <vic class_id="63" tracking_level="0" version="0"> ! <visResponse>1</visResponse> <visSurfaceConc>0</visSurfaceConc> <visStepSizes>0</visStepSizes> |
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From: beeblbrox <bee...@us...> - 2008-03-27 17:08:09
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Update of /cvsroot/echempp/Analysis/Data In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv17128 Modified Files: Makefile.am Log Message: GMM++ Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Analysis/Data/Makefile.am,v retrieving revision 1.18 retrieving revision 1.19 diff -C2 -d -r1.18 -r1.19 *** Makefile.am 27 Mar 2008 13:04:27 -0000 1.18 --- Makefile.am 27 Mar 2008 17:08:03 -0000 1.19 *************** *** 31,35 **** # -Wno-parentheses is needed due to boost::serialization # -Wno-unused-parameter is needed due to boost::serialization ! libeppDataold_la_CXXFLAGS = -Wall -Werror -pedantic-errors -Wno-deprecated \ -Wno-unused-parameter\ -Wno-parentheses\ --- 31,35 ---- # -Wno-parentheses is needed due to boost::serialization # -Wno-unused-parameter is needed due to boost::serialization ! libeppDataold_la_CXXFLAGS = -Wall -Werror -Wno-non-virtual-dtor -pedantic-errors -Wno-deprecated \ -Wno-unused-parameter\ -Wno-parentheses\ |
Update of /cvsroot/echempp/examples In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv11497 Modified Files: example1.xml example2.xml example3.xml example4.xml example5.xml example6.xml example7.xml example8.xml example9.xml Log Message: Changed examples to comply with new datastructures. Index: example5.xml =================================================================== RCS file: /cvsroot/echempp/examples/example5.xml,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -d -r1.3 -r1.4 *** example5.xml 28 Dec 2007 16:50:10 -0000 1.3 --- example5.xml 27 Mar 2008 16:54:29 -0000 1.4 *************** *** 20,189 **** <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="7" tracking_level="0" version="0"> ! <ABQ class_id="8" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>2</num_electrodes> ! <dimension>1</dimension> ! <technique0>CV</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="9" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="10" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="11" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="12" tracking_level="0" version="0"> ! <ABQ class_id="13" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>1</_value> ! </item> ! </_Imax> ! <_segments class_id="14" tracking_level="0" version="0"> ! <count>2</count> ! <item class_id="15" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="16" tracking_level="0" version="0"> ! <Segment class_id="17" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="18" tracking_level="0" version="0"> ! <ABQ class_id="19" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0.5</_value> ! </_endValue> ! <_derivative class_id="20" tracking_level="0" version="0"> ! <ABQ class_id="21" tracking_level="0" version="0"> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>1</_value> ! </_derivative> ! </item> ! <item class_id_reference="15" object_id="_5"> ! <Base> ! <Segment></Segment> ! <_Imax> <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> ! <_value>0.5</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0</_value> ! </_endValue> ! <_derivative> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> ! <_value>-1</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_6"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="22" tracking_level="1" version="0" object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="23" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! <mc class_id="24" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B + C --> D; r = kf1*c<B>; --- 20,192 ---- <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <ec class_id="7" tracking_level="0" version="0"> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="8" tracking_level="0" version="0"> ! <ABQ class_id="9" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>1</num_electrodes> ! <dimension>1</dimension> ! <technique0>CV</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="10" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="11" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="12" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="13" tracking_level="0" version="0"> ! <ABQ class_id="14" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>0</_value> ! </item> ! <item> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> <_value>0.5</_value> ! </item> ! <item> ! <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>1</_value> ! </item> ! </_Imax> ! <_segments class_id="15" tracking_level="0" version="0"> ! <count>2</count> ! <item class_id="16" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="17" tracking_level="0" version="0"> ! <Segment class_id="18" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="19" tracking_level="0" version="0"> ! <ABQ class_id="20" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> + <namestring>electric potential</namestring> + <symbolstring>E</symbolstring> + </ABQ> + <_value>0.5</_value> + </_endValue> + <_derivative class_id="21" tracking_level="0" version="0"> + <ABQ class_id="22" tracking_level="0" version="0"> <namestring></namestring> <symbolstring></symbolstring> </ABQ> + <_value>1</_value> + </_derivative> + </item> + <item class_id_reference="16" object_id="_5"> + <Base> + <Segment></Segment> + <_Imax> + <ABQ> + <namestring></namestring> + <symbolstring></symbolstring> + </ABQ> + <_value>0.5</_value> + </_Imax> + </Base> + <_startingValue> + <ABQ> + <namestring>electric potential</namestring> + <symbolstring>E</symbolstring> + </ABQ> <_value>0.5</_value> ! </_startingValue> ! <_endValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0</_value> ! </_endValue> ! <_derivative> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>-1</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_6"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="23" tracking_level="1" version="0" object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="24" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! </ec> ! <mc class_id="25" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> <mechanism>A <=> B + e-; b<0>; ! B + C --> D; ! r = kf1*c<B>; *************** *** 195,201 **** </activeBoundaries> </mc> ! <mpc class_id="26" tracking_level="0" version="0"> ! <temp class_id="27" tracking_level="0" version="0"> ! <ABQ class_id="28" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> --- 198,204 ---- </activeBoundaries> </mc> ! <mpc class_id="27" tracking_level="0" version="0"> ! <temp class_id="28" tracking_level="0" version="0"> ! <ABQ class_id="29" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> *************** *** 203,208 **** <_value>293.14999999999998</_value> </temp> ! <area class_id="29" tracking_level="0" version="0"> ! <ABQ class_id="30" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> --- 206,211 ---- <_value>293.14999999999998</_value> </temp> ! <area class_id="30" tracking_level="0" version="0"> ! <ABQ class_id="31" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> *************** *** 210,219 **** <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="31" tracking_level="0" version="0"> <count>4</count> ! <item class_id="32" tracking_level="0" version="0"> <first>0</first> ! <second class_id="33" tracking_level="0" version="0"> ! <ABQ class_id="34" tracking_level="0" version="0"> <namestring>concentration</namestring> <symbolstring>c</symbolstring> --- 213,222 ---- <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="32" tracking_level="0" version="0"> <count>4</count> ! <item class_id="33" tracking_level="0" version="0"> <first>0</first> ! <second class_id="34" tracking_level="0" version="0"> ! <ABQ class_id="35" tracking_level="0" version="0"> <namestring>concentration</namestring> <symbolstring>c</symbolstring> *************** *** 261,276 **** </refDissConc> <refConcIndex>2</refConcIndex> ! <adsConcs class_id="35" tracking_level="0" version="0"> <count>0</count> </adsConcs> ! <saturationConcs class_id="36" tracking_level="0" version="0"> <count>0</count> </saturationConcs> ! <diffCoeffs class_id="37" tracking_level="0" version="0"> <count>4</count> ! <item class_id="38" tracking_level="0" version="0"> <first>0</first> ! <second class_id="39" tracking_level="0" version="0"> ! <ABQ class_id="40" tracking_level="0" version="0"> <namestring>diffusioncoefficient</namestring> <symbolstring>D</symbolstring> --- 264,279 ---- </refDissConc> <refConcIndex>2</refConcIndex> ! <adsConcs class_id="36" tracking_level="0" version="0"> <count>0</count> </adsConcs> ! <saturationConcs class_id="37" tracking_level="0" version="0"> <count>0</count> </saturationConcs> ! <diffCoeffs class_id="38" tracking_level="0" version="0"> <count>4</count> ! <item class_id="39" tracking_level="0" version="0"> <first>0</first> ! <second class_id="40" tracking_level="0" version="0"> ! <ABQ class_id="41" tracking_level="0" version="0"> <namestring>diffusioncoefficient</namestring> <symbolstring>D</symbolstring> *************** *** 318,324 **** </refDiffCoeff> <maxDiffCoeff>3</maxDiffCoeff> ! <formalPotentials class_id="41" tracking_level="0" version="0"> <count>1</count> ! <item class_id="42" tracking_level="0" version="0"> <first>0</first> <second> --- 321,327 ---- </refDiffCoeff> <maxDiffCoeff>3</maxDiffCoeff> ! <formalPotentials class_id="42" tracking_level="0" version="0"> <count>1</count> ! <item class_id="43" tracking_level="0" version="0"> <first>0</first> <second> *************** *** 331,347 **** </item> </formalPotentials> ! <alphas class_id="43" tracking_level="0" version="0"> <count>1</count> ! <item class_id="44" tracking_level="0" version="0"> <first>0</first> <second>0.5</second> </item> </alphas> ! <khs class_id="45" tracking_level="0" version="0"> <count>1</count> ! <item class_id="46" tracking_level="0" version="0"> <first>0</first> ! <second class_id="47" tracking_level="0" version="0"> ! <ABQ class_id="48" tracking_level="0" version="0"> <namestring>heterogeneousrateconstant</namestring> <symbolstring>k_s</symbolstring> --- 334,350 ---- </item> </formalPotentials> ! <alphas class_id="44" tracking_level="0" version="0"> <count>1</count> ! <item class_id="45" tracking_level="0" version="0"> <first>0</first> <second>0.5</second> </item> </alphas> ! <khs class_id="46" tracking_level="0" version="0"> <count>1</count> ! <item class_id="47" tracking_level="0" version="0"> <first>0</first> ! <second class_id="48" tracking_level="0" version="0"> ! <ABQ class_id="49" tracking_level="0" version="0"> <namestring>heterogeneousrateconstant</namestring> <symbolstring>k_s</symbolstring> *************** *** 351,361 **** </item> </khs> ! <langEquilConstants class_id="49" tracking_level="0" version="0"> <count>0</count> </langEquilConstants> ! <langAdsRateConstants class_id="50" tracking_level="0" version="0"> <count>0</count> </langAdsRateConstants> ! <firstOrderRateConstants class_id="51" tracking_level="0" version="0"> <count>0</count> </firstOrderRateConstants> --- 354,364 ---- </item> </khs> ! <langEquilConstants class_id="50" tracking_level="0" version="0"> <count>0</count> </langEquilConstants> ! <langAdsRateConstants class_id="51" tracking_level="0" version="0"> <count>0</count> </langAdsRateConstants> ! <firstOrderRateConstants class_id="52" tracking_level="0" version="0"> <count>0</count> </firstOrderRateConstants> *************** *** 405,415 **** <numRowsHetSurfGen>0</numRowsHetSurfGen> <numColsHetSurfGen>0</numColsHetSurfGen> ! <genParams class_id="53" tracking_level="0" version="0"> <count>1</count> ! <item class_id="54" tracking_level="0" version="0"> <first>kf1</first> ! <second class_id="55" tracking_level="0" version="0"> <count>1</count> ! <item class_id="56" tracking_level="0" version="0"> <first>1</first> <second> --- 408,418 ---- <numRowsHetSurfGen>0</numRowsHetSurfGen> <numColsHetSurfGen>0</numColsHetSurfGen> ! <genParams class_id="54" tracking_level="0" version="0"> <count>1</count> ! <item class_id="55" tracking_level="0" version="0"> <first>kf1</first> ! <second class_id="56" tracking_level="0" version="0"> <count>1</count> ! <item class_id="57" tracking_level="0" version="0"> <first>1</first> <second> *************** *** 420,440 **** </item> </genParams> ! <genColsParams class_id="58" tracking_level="0" version="0"> <count>1</count> ! <item class_id="59" tracking_level="0" version="0"> <first>0</first> <second>kf1</second> </item> </genColsParams> ! <genParamsCols class_id="60" tracking_level="0" version="0"> <count>1</count> ! <item class_id="61" tracking_level="0" version="0"> <first>kf1</first> <second>0</second> </item> </genParamsCols> ! <genParamsValues class_id="62" tracking_level="0" version="0"> <count>1</count> ! <item class_id="63" tracking_level="0" version="0"> <first>kf1</first> <second>5</second> --- 423,443 ---- </item> </genParams> ! <genColsParams class_id="59" tracking_level="0" version="0"> <count>1</count> ! <item class_id="60" tracking_level="0" version="0"> <first>0</first> <second>kf1</second> </item> </genColsParams> ! <genParamsCols class_id="61" tracking_level="0" version="0"> <count>1</count> ! <item class_id="62" tracking_level="0" version="0"> <first>kf1</first> <second>0</second> </item> </genParamsCols> ! <genParamsValues class_id="63" tracking_level="0" version="0"> <count>1</count> ! <item class_id="64" tracking_level="0" version="0"> <first>kf1</first> <second>5</second> *************** *** 442,506 **** </genParamsValues> </mpc> ! <maxTime>100</maxTime> ! <accuracy>0.001</accuracy> ! <dataStorage>0</dataStorage> ! <initStepSize>0.01</initStepSize> ! <cinit> ! <count>4</count> ! <item> ! <first>0</first> ! <second>0.01</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! <item> ! <first>2</first> ! <second>1</second> ! </item> ! <item> ! <first>3</first> ! <second>0</second> ! </item> ! </cinit> ! <equConcs> ! <count>4</count> ! <item> ! <first>0</first> ! <second>0.01</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! <item> ! <first>2</first> ! <second>1</second> ! </item> ! <item> ! <first>3</first> ! <second>0</second> ! </item> ! </equConcs> ! <indices> ! <count>3</count> ! <item>1</item> ! <item>2</item> ! <item>3</item> ! </indices> ! <timeSteps> ! <count>0</count> ! </timeSteps> ! <profiles class_id="65" tracking_level="0" version="0"> ! <count>0</count> ! </profiles> ! <homReactions>1</homReactions> ! <ads>1</ads> ! <homSurfReactions>1</homSurfReactions> ! <hetSurfReactions>0</hetSurfReactions> ! <plotDiss>0</plotDiss> ! <plotAds>0</plotAds> ! <sc class_id="66" tracking_level="0" version="0"> <rho>0.11111111111111108</rho> <TOL>0.02</TOL> --- 445,511 ---- </genParamsValues> </mpc> ! <eqc class_id="65" tracking_level="0" version="0"> ! <maxTime>100</maxTime> ! <accuracy>0.001</accuracy> ! <dataStorage>0</dataStorage> ! <initStepSize>0.01</initStepSize> ! <cinit> ! <count>4</count> ! <item> ! <first>0</first> ! <second>0.01</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! <item> ! <first>2</first> ! <second>1</second> ! </item> ! <item> ! <first>3</first> ! <second>0</second> ! </item> ! </cinit> ! <equConcs> ! <count>4</count> ! <item> ! <first>0</first> ! <second>0.01</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! <item> ! <first>2</first> ! <second>1</second> ! </item> ! <item> ! <first>3</first> ! <second>0</second> ! </item> ! </equConcs> ! <indices> ! <count>3</count> ! <item>1</item> ! <item>2</item> ! <item>3</item> ! </indices> ! <timeSteps> ! <count>0</count> ! </timeSteps> ! <profiles class_id="67" tracking_level="0" version="0"> ! <count>0</count> ! </profiles> ! <homReactions>1</homReactions> ! <ads>1</ads> ! <homSurfReactions>1</homSurfReactions> ! <hetSurfReactions>0</hetSurfReactions> ! <plotDiss>0</plotDiss> ! <plotAds>0</plotAds> ! </eqc> ! <sc class_id="68" tracking_level="0" version="0"> <rho>0.11111111111111108</rho> <TOL>0.02</TOL> *************** *** 548,569 **** <type>1</type> </sc> ! <visResponse>1</visResponse> ! <visSurfaceConc>0</visSurfaceConc> ! <visStepSizes>0</visStepSizes> ! <visTimeErrors>0</visTimeErrors> ! <visDof>0</visDof> ! <visSpatialErrors>0</visSpatialErrors> ! <visGridEvolution>0</visGridEvolution> ! <visConcProfiles>0</visConcProfiles> </cond_data> - <meas_data class_id="68" class_name="experiment::MeasurementDataModSim" tracking_level="1" version="0" object_id="_9"> - <MeasurementData class_id="67" tracking_level="1" version="0" object_id="_10"></MeasurementData> - <responseCurves class_id="69" tracking_level="0" version="0"> - <count>0</count> - </responseCurves> - <timeSteps> - <count>0</count> - </timeSteps> - <conversionFactor>0</conversionFactor> - </meas_data> </ep> --- 553,566 ---- <type>1</type> </sc> ! <vic class_id="69" tracking_level="0" version="0"> ! <visResponse>1</visResponse> ! <visSurfaceConc>0</visSurfaceConc> ! <visStepSizes>0</visStepSizes> ! <visTimeErrors>0</visTimeErrors> ! <visDof>0</visDof> ! <visSpatialErrors>0</visSpatialErrors> ! <visGridEvolution>0</visGridEvolution> ! <visConcProfiles>0</visConcProfiles> ! </vic> </cond_data> </ep> Index: example1.xml =================================================================== RCS file: /cvsroot/echempp/examples/example1.xml,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -d -r1.3 -r1.4 *** example1.xml 27 Dec 2007 19:23:11 -0000 1.3 --- example1.xml 27 Mar 2008 16:54:29 -0000 1.4 *************** *** 20,188 **** <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="7" tracking_level="0" version="0"> ! <ABQ class_id="8" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>1</num_electrodes> ! <dimension>1</dimension> ! <technique0>CV</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="9" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="10" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="11" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="12" tracking_level="0" version="0"> ! <ABQ class_id="13" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>1</_value> ! </item> ! </_Imax> ! <_segments class_id="14" tracking_level="0" version="0"> ! <count>2</count> ! <item class_id="15" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="16" tracking_level="0" version="0"> ! <Segment class_id="17" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="18" tracking_level="0" version="0"> ! <ABQ class_id="19" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0.5</_value> ! </_endValue> ! <_derivative class_id="20" tracking_level="0" version="0"> ! <ABQ class_id="21" tracking_level="0" version="0"> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>1</_value> ! </_derivative> ! </item> ! <item class_id_reference="15" object_id="_5"> ! <Base> ! <Segment></Segment> ! <_Imax> <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> ! <_value>0.5</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0</_value> ! </_endValue> ! <_derivative> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> ! <_value>-1</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_6"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="22" tracking_level="1" version="0" object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="23" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! <mc class_id="24" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>;</mechanism> <activeBoundaries> <count>1</count> --- 20,194 ---- <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <ec class_id="7" tracking_level="0" version="0"> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="8" tracking_level="0" version="0"> ! <ABQ class_id="9" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>2</num_electrodes> ! <dimension>1</dimension> ! <technique0>CV</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="10" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="11" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="12" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="13" tracking_level="0" version="0"> ! <ABQ class_id="14" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>0</_value> ! </item> ! <item> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> <_value>0.5</_value> ! </item> ! <item> ! <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> <_value>1</_value> ! </item> ! </_Imax> ! <_segments class_id="15" tracking_level="0" version="0"> ! <count>2</count> ! <item class_id="16" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="17" tracking_level="0" version="0"> ! <Segment class_id="18" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="19" tracking_level="0" version="0"> ! <ABQ class_id="20" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> + <namestring>electric potential</namestring> + <symbolstring>E</symbolstring> + </ABQ> + <_value>0.5</_value> + </_endValue> + <_derivative class_id="21" tracking_level="0" version="0"> + <ABQ class_id="22" tracking_level="0" version="0"> <namestring></namestring> <symbolstring></symbolstring> </ABQ> + <_value>1</_value> + </_derivative> + </item> + <item class_id_reference="16" object_id="_5"> + <Base> + <Segment></Segment> + <_Imax> + <ABQ> + <namestring></namestring> + <symbolstring></symbolstring> + </ABQ> + <_value>0.5</_value> + </_Imax> + </Base> + <_startingValue> + <ABQ> + <namestring>electric potential</namestring> + <symbolstring>E</symbolstring> + </ABQ> <_value>0.5</_value> ! </_startingValue> ! <_endValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0</_value> ! </_endValue> ! <_derivative> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>-1</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_6"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="23" tracking_level="1" version="0" object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="24" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! </ec> ! <mc class_id="25" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> ! <mechanism>A <=> B + e-; b<0>; ! ! ! ! </mechanism> <activeBoundaries> <count>1</count> *************** *** 190,196 **** </activeBoundaries> </mc> ! <mpc class_id="26" tracking_level="0" version="0"> ! <temp class_id="27" tracking_level="0" version="0"> ! <ABQ class_id="28" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> --- 196,202 ---- </activeBoundaries> </mc> ! <mpc class_id="27" tracking_level="0" version="0"> ! <temp class_id="28" tracking_level="0" version="0"> ! <ABQ class_id="29" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> *************** *** 198,203 **** <_value>293.14999999999998</_value> </temp> ! <area class_id="29" tracking_level="0" version="0"> ! <ABQ class_id="30" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> --- 204,209 ---- <_value>293.14999999999998</_value> </temp> ! <area class_id="30" tracking_level="0" version="0"> ! <ABQ class_id="31" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> *************** *** 205,214 **** <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="31" tracking_level="0" version="0"> <count>2</count> ! <item class_id="32" tracking_level="0" version="0"> <first>0</first> ! <second class_id="33" tracking_level="0" version="0"> ! <ABQ class_id="34" tracking_level="0" version="0"> <namestring>concentration</namestring> <symbolstring>c</symbolstring> --- 211,220 ---- <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="32" tracking_level="0" version="0"> <count>2</count> ! <item class_id="33" tracking_level="0" version="0"> <first>0</first> ! <second class_id="34" tracking_level="0" version="0"> ! <ABQ class_id="35" tracking_level="0" version="0"> <namestring>concentration</namestring> <symbolstring>c</symbolstring> *************** *** 236,251 **** </refDissConc> <refConcIndex>0</refConcIndex> ! <adsConcs class_id="35" tracking_level="0" version="0"> <count>0</count> </adsConcs> ! <saturationConcs class_id="36" tracking_level="0" version="0"> <count>0</count> </saturationConcs> ! <diffCoeffs class_id="37" tracking_level="0" version="0"> <count>2</count> ! <item class_id="38" tracking_level="0" version="0"> <first>0</first> ! <second class_id="39" tracking_level="0" version="0"> ! <ABQ class_id="40" tracking_level="0" version="0"> <namestring>diffusioncoefficient</namestring> <symbolstring>D</symbolstring> --- 242,257 ---- </refDissConc> <refConcIndex>0</refConcIndex> ! <adsConcs class_id="36" tracking_level="0" version="0"> <count>0</count> </adsConcs> ! <saturationConcs class_id="37" tracking_level="0" version="0"> <count>0</count> </saturationConcs> ! <diffCoeffs class_id="38" tracking_level="0" version="0"> <count>2</count> ! <item class_id="39" tracking_level="0" version="0"> <first>0</first> ! <second class_id="40" tracking_level="0" version="0"> ! <ABQ class_id="41" tracking_level="0" version="0"> <namestring>diffusioncoefficient</namestring> <symbolstring>D</symbolstring> *************** *** 273,279 **** </refDiffCoeff> <maxDiffCoeff>1</maxDiffCoeff> ! <formalPotentials class_id="41" tracking_level="0" version="0"> <count>1</count> ! <item class_id="42" tracking_level="0" version="0"> <first>0</first> <second> --- 279,285 ---- </refDiffCoeff> <maxDiffCoeff>1</maxDiffCoeff> ! <formalPotentials class_id="42" tracking_level="0" version="0"> <count>1</count> ! <item class_id="43" tracking_level="0" version="0"> <first>0</first> <second> *************** *** 286,302 **** </item> </formalPotentials> ! <alphas class_id="43" tracking_level="0" version="0"> <count>1</count> ! <item class_id="44" tracking_level="0" version="0"> <first>0</first> <second>0.5</second> </item> </alphas> ! <khs class_id="45" tracking_level="0" version="0"> <count>1</count> ! <item class_id="46" tracking_level="0" version="0"> <first>0</first> ! <second class_id="47" tracking_level="0" version="0"> ! <ABQ class_id="48" tracking_level="0" version="0"> <namestring>heterogeneousrateconstant</namestring> <symbolstring>k_s</symbolstring> --- 292,308 ---- </item> </formalPotentials> ! <alphas class_id="44" tracking_level="0" version="0"> <count>1</count> ! <item class_id="45" tracking_level="0" version="0"> <first>0</first> <second>0.5</second> </item> </alphas> ! <khs class_id="46" tracking_level="0" version="0"> <count>1</count> ! <item class_id="47" tracking_level="0" version="0"> <first>0</first> ! <second class_id="48" tracking_level="0" version="0"> ! <ABQ class_id="49" tracking_level="0" version="0"> <namestring>heterogeneousrateconstant</namestring> <symbolstring>k_s</symbolstring> *************** *** 306,316 **** </item> </khs> ! <langEquilConstants class_id="49" tracking_level="0" version="0"> <count>0</count> </langEquilConstants> ! <langAdsRateConstants class_id="50" tracking_level="0" version="0"> <count>0</count> </langAdsRateConstants> ! <firstOrderRateConstants class_id="51" tracking_level="0" version="0"> <count>0</count> </firstOrderRateConstants> --- 312,322 ---- </item> </khs> ! <langEquilConstants class_id="50" tracking_level="0" version="0"> <count>0</count> </langEquilConstants> ! <langAdsRateConstants class_id="51" tracking_level="0" version="0"> <count>0</count> </langAdsRateConstants> ! <firstOrderRateConstants class_id="52" tracking_level="0" version="0"> <count>0</count> </firstOrderRateConstants> *************** *** 360,418 **** <numRowsHetSurfGen>0</numRowsHetSurfGen> <numColsHetSurfGen>0</numColsHetSurfGen> ! <genParams class_id="53" tracking_level="0" version="0"> <count>0</count> </genParams> ! <genColsParams class_id="54" tracking_level="0" version="0"> <count>0</count> </genColsParams> ! <genParamsCols class_id="55" tracking_level="0" version="0"> <count>0</count> </genParamsCols> ! <genParamsValues class_id="56" tracking_level="0" version="0"> <count>0</count> </genParamsValues> </mpc> ! <maxTime>100</maxTime> ! <accuracy>0.001</accuracy> ! <dataStorage>0</dataStorage> ! <initStepSize>0.01</initStepSize> ! <cinit> ! <count>2</count> ! <item> ! <first>0</first> ! <second>1</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! </cinit> ! <equConcs> ! <count>2</count> ! <item> ! <first>0</first> ! <second>1</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! </equConcs> ! <indices> ! <count>0</count> ! </indices> ! <timeSteps> ! <count>0</count> ! </timeSteps> ! <profiles class_id="58" tracking_level="0" version="0"> ! <count>0</count> ! </profiles> ! <homReactions>1</homReactions> ! <ads>1</ads> ! <homSurfReactions>1</homSurfReactions> ! <hetSurfReactions>0</hetSurfReactions> ! <plotDiss>0</plotDiss> ! <plotAds>0</plotAds> ! <sc class_id="59" tracking_level="0" version="0"> <rho>0.11111111111111108</rho> <TOL>0.02</TOL> --- 366,426 ---- <numRowsHetSurfGen>0</numRowsHetSurfGen> <numColsHetSurfGen>0</numColsHetSurfGen> ! <genParams class_id="54" tracking_level="0" version="0"> <count>0</count> </genParams> ! <genColsParams class_id="55" tracking_level="0" version="0"> <count>0</count> </genColsParams> ! <genParamsCols class_id="56" tracking_level="0" version="0"> <count>0</count> </genParamsCols> ! <genParamsValues class_id="57" tracking_level="0" version="0"> <count>0</count> </genParamsValues> </mpc> ! <eqc class_id="58" tracking_level="0" version="0"> ! <maxTime>100</maxTime> ! <accuracy>0.001</accuracy> ! <dataStorage>0</dataStorage> ! <initStepSize>0.01</initStepSize> ! <cinit> ! <count>2</count> ! <item> ! <first>0</first> ! <second>1</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! </cinit> ! <equConcs> ! <count>2</count> ! <item> ! <first>0</first> ! <second>1</second> ! </item> ! <item> ! <first>1</first> ! <second>0</second> ! </item> ! </equConcs> ! <indices> ! <count>0</count> ! </indices> ! <timeSteps> ! <count>0</count> ! </timeSteps> ! <profiles class_id="60" tracking_level="0" version="0"> ! <count>0</count> ! </profiles> ! <homReactions>1</homReactions> ! <ads>1</ads> ! <homSurfReactions>1</homSurfReactions> ! <hetSurfReactions>0</hetSurfReactions> ! <plotDiss>0</plotDiss> ! <plotAds>0</plotAds> ! </eqc> ! <sc class_id="61" tracking_level="0" version="0"> <rho>0.11111111111111108</rho> <TOL>0.02</TOL> *************** *** 456,477 **** <type>1</type> </sc> ! <visResponse>1</visResponse> ! <visSurfaceConc>0</visSurfaceConc> ! <visStepSizes>0</visStepSizes> ! <visTimeErrors>0</visTimeErrors> ! <visDof>0</visDof> ! <visSpatialErrors>0</visSpatialErrors> ! <visGridEvolution>0</visGridEvolution> ! <visConcProfiles>0</visConcProfiles> </cond_data> - <meas_data class_id="61" class_name="experiment::MeasurementDataModSim" tracking_level="1" version="0" object_id="_9"> - <MeasurementData class_id="60" tracking_level="1" version="0" object_id="_10"></MeasurementData> - <responseCurves class_id="62" tracking_level="0" version="0"> - <count>0</count> - </responseCurves> - <timeSteps> - <count>0</count> - </timeSteps> - <conversionFactor>0</conversionFactor> - </meas_data> </ep> --- 464,477 ---- <type>1</type> </sc> ! <vic class_id="62" tracking_level="0" version="0"> ! <visResponse>1</visResponse> ! <visSurfaceConc>0</visSurfaceConc> ! <visStepSizes>0</visStepSizes> ! <visTimeErrors>0</visTimeErrors> ! <visDof>0</visDof> ! <visSpatialErrors>0</visSpatialErrors> ! <visGridEvolution>0</visGridEvolution> ! <visConcProfiles>0</visConcProfiles> ! </vic> </cond_data> </ep> Index: example8.xml =================================================================== RCS file: /cvsroot/echempp/examples/example8.xml,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -d -r1.3 -r1.4 *** example8.xml 27 Dec 2007 19:23:11 -0000 1.3 --- example8.xml 27 Mar 2008 16:54:30 -0000 1.4 *************** *** 20,211 **** <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="7" tracking_level="0" version="0"> ! <ABQ class_id="8" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>2</num_electrodes> ! <dimension>1</dimension> ! <technique0>User Defined</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="9" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="10" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="11" tracking_level="0" version="0"> ! <count>4</count> ! <item class_id="12" tracking_level="0" version="0"> ! <ABQ class_id="13" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>1</_value> ! </item> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>2</_value> ! </item> ! <item> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>3.3999999999999999</_value> ! </item> ! </_Imax> ! <_segments class_id="14" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="15" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="16" tracking_level="0" version="0"> ! <Segment class_id="17" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>1</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="18" tracking_level="0" version="0"> ! <ABQ class_id="19" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> <_value>0.5</_value> ! </_endValue> ! <_derivative class_id="20" tracking_level="0" version="0"> ! <ABQ class_id="21" tracking_level="0" version="0"> <namestring></namestring> <symbolstring></symbolstring> </ABQ> ! <_value>0.5</_value> ! </_derivative> ! </item> ! <item class_id="22" class_name="ExcitationFunctions::Segments::ConstantEtSegment" tracking_level="1" version="0" object_id="_5"> ! <Base> ! <Segment></Segment> ! <_Imax> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>1</_value> ! </_Imax> ! </Base> ! <_constantValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_constantValue> ! </item> ! <item class_id_reference="15" object_id="_6"> ! <Base> ! <Segment></Segment> ! <_Imax> <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> ! <_value>1.3999999999999999</_value> ! </_Imax> ! </Base> ! <_startingValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> ! <_value>0.5</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> </ABQ> ! <_value>-0.20000000000000001</_value> ! </_endValue> ! <_derivative> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> ! <_value>-0.5</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="23" tracking_level="1" version="0" object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="24" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_9"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! <mc class_id="25" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> --- 20,213 ---- <cond_data class_id="6" class_name="experiment::ConditionDataModSim" tracking_level="1" version="0" object_id="_1"> <ConditionData class_id="5" tracking_level="1" version="0" object_id="_2"></ConditionData> ! <ec class_id="7" tracking_level="0" version="0"> ! <safety>3</safety> ! <is_finite>0</is_finite> ! <currentControlled>0</currentControlled> ! <potentialControlled>1</potentialControlled> ! <finiteDistance class_id="8" tracking_level="0" version="0"> ! <ABQ class_id="9" tracking_level="0" version="0"> ! <namestring>length</namestring> ! <symbolstring>l</symbolstring> ! </ABQ> ! <_value>5.0000000000000002e-05</_value> ! </finiteDistance> ! <num_electrodes>1</num_electrodes> ! <dimension>1</dimension> ! <technique0>User Defined</technique0> ! <technique1>CV</technique1> ! <boundary0>0</boundary0> ! <boundary1>1</boundary1> ! <etExcitation0 class_id="10" tracking_level="1" version="0" object_id="_3"> ! <ExcitationFunction class_id="11" tracking_level="0" version="0"></ExcitationFunction> ! <_Imax class_id="12" tracking_level="0" version="0"> ! <count>4</count> ! <item class_id="13" tracking_level="0" version="0"> ! <ABQ class_id="14" tracking_level="0" version="0"> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> <_value>0</_value> ! </item> ! <item> <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> <_value>0.5</_value> ! </item> ! <item> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>1.5</_value> ! </item> ! <item> ! <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> ! <_value>2</_value> ! </item> ! </_Imax> ! <_segments class_id="15" tracking_level="0" version="0"> ! <count>3</count> ! <item class_id="16" class_name="ExcitationFunctions::Segments::LinearEtSegment" tracking_level="1" version="0" object_id="_4"> ! <Base class_id="17" tracking_level="0" version="0"> ! <Segment class_id="18" tracking_level="0" version="0"></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue class_id="19" tracking_level="0" version="0"> ! <ABQ class_id="20" tracking_level="0" version="0"> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0</_value> ! </_startingValue> ! <_endValue> <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_endValue> ! <_derivative class_id="21" tracking_level="0" version="0"> ! <ABQ class_id="22" tracking_level="0" version="0"> ! <namestring></namestring> ! <symbolstring></symbolstring> </ABQ> <_value>1</_value> ! </_derivative> ! </item> ! <item class_id="23" class_name="ExcitationFunctions::Segments::ConstantEtSegment" tracking_level="1" version="0" object_id="_5"> ! <Base> ! <Segment></Segment> ! <_Imax> ! <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> ! </ABQ> ! <_value>1</_value> ! </_Imax> ! </Base> ! <_constantValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_constantValue> ! </item> ! <item class_id_reference="16" object_id="_6"> ! <Base> ! <Segment></Segment> ! <_Imax> ! <ABQ> ! <namestring></namestring> ! <symbolstring></symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_Imax> ! </Base> ! <_startingValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>0.5</_value> ! </_startingValue> ! <_endValue> ! <ABQ> ! <namestring>electric potential</namestring> ! <symbolstring>E</symbolstring> ! </ABQ> ! <_value>-0.20000000000000001</_value> ! </_endValue> ! <_derivative> <ABQ> <namestring></namestring> <symbolstring></symbolstring> </ABQ> ! <_value>-1.3999999999999999</_value> ! </_derivative> ! </item> ! </_segments> ! </etExcitation0> ! <etExcitation1 object_id="_7"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </etExcitation1> ! <itExcitation0 class_id="24" tracking_level="1" version="0" object_id="_8"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments class_id="25" tracking_level="0" version="0"> ! <count>0</count> ! </_segments> ! </itExcitation0> ! <itExcitation1 object_id="_9"> ! <ExcitationFunction></ExcitationFunction> ! <_Imax> ! <count>1</count> ! <item> <ABQ> ! <namestring>time</namestring> ! <symbolstring>t</symbolstring> </ABQ> ! <_value>0</_value> ! </item> ! </_Imax> ! <_segments> ! <count>0</count> ! </_segments> ! </itExcitation1> ! </ec> ! <mc class_id="26" tracking_level="0" version="0"> <chargeBalance>0</chargeBalance> <stoichiometricBalance>1</stoichiometricBalance> *************** *** 213,216 **** --- 215,220 ---- + + </mechanism> <activeBoundaries> *************** *** 219,225 **** </activeBoundaries> </mc> ! <mpc class_id="27" tracking_level="0" version="0"> ! <temp class_id="28" tracking_level="0" version="0"> ! <ABQ class_id="29" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> --- 223,229 ---- </activeBoundaries> </mc> ! <mpc class_id="28" tracking_level="0" version="0"> ! <temp class_id="29" tracking_level="0" version="0"> ! <ABQ class_id="30" tracking_level="0" version="0"> <namestring>temperature</namestring> <symbolstring>T</symbolstring> *************** *** 227,232 **** <_value>293.14999999999998</_value> </temp> ! <area class_id="30" tracking_level="0" version="0"> ! <ABQ class_id="31" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> --- 231,236 ---- <_value>293.14999999999998</_value> </temp> ! <area class_id="31" tracking_level="0" version="0"> ! <ABQ class_id="32" tracking_level="0" version="0"> <namestring>area</namestring> <symbolstring>A</symbolstring> *************** *** 234,243 **** <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="32" tracking_level="0" version="0"> <count>2</count> ! <item class_id="33" tracking_level="0" version="0"> <first>0</first> ! <second class_id="34" tracking_level="0" version="0"> ! <ABQ class_id="35" tracking_level="0" version="0"> <namestring>concentration</namestring> <symbolstring>c</symbolstring> --- 238,247 ---- <_value>6.0000000000000002e-06</_value> </area> ! <dissConcs class_id="33" tracking_level="0" version="0"> <count>2</count> ! <item class_id="34" tracking_level="0" version="0"> <first>0</first> ! <second class_id="35" tracking_level="0" version="0"> ! <ABQ class_id... [truncated message content] |
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From: beeblbrox <bee...@us...> - 2008-03-27 16:52:01
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Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv9959/GUI/Windows/Qt/EChem++/Model Modified Files: experimentDialog.cpp Log Message: Final fix for num_electrode bug. Index: experimentDialog.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/experimentDialog.cpp,v retrieving revision 1.19 retrieving revision 1.20 diff -C2 -d -r1.19 -r1.20 *** experimentDialog.cpp 27 Mar 2008 15:36:15 -0000 1.19 --- experimentDialog.cpp 27 Mar 2008 16:51:56 -0000 1.20 *************** *** 77,82 **** _cond_data->ec.finiteDistance = quantity::Length(0.005,quantity::length::CentiMetre()); _cond_data->ec.dimension = 1; ! _cond_data->ec.num_electrodes = 2; ! _electrodeCheckBox->setChecked(TRUE); _geometry = new ecco::Geometry1D(); --- 77,82 ---- _cond_data->ec.finiteDistance = quantity::Length(0.005,quantity::length::CentiMetre()); _cond_data->ec.dimension = 1; ! _cond_data->ec.num_electrodes = 1; ! _electrodeCheckBox->setChecked(FALSE); _geometry = new ecco::Geometry1D(); |
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From: beeblbrox <bee...@us...> - 2008-03-27 15:36:18
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Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv9654/GUI/Windows/Qt/EChem++/Model Modified Files: experimentDialog.cpp Log Message: Fixed num_electrode bug. Index: experimentDialog.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/experimentDialog.cpp,v retrieving revision 1.18 retrieving revision 1.19 diff -C2 -d -r1.18 -r1.19 *** experimentDialog.cpp 27 Mar 2008 14:38:24 -0000 1.18 --- experimentDialog.cpp 27 Mar 2008 15:36:15 -0000 1.19 *************** *** 449,453 **** ! if( _finiteRadioButton->isChecked() & _electrodeCheckBox->isChecked() ) { _cond_data->ec.num_electrodes = 2; --- 449,453 ---- ! if( _finiteRadioButton->isChecked() && _electrodeCheckBox->isChecked() ) { _cond_data->ec.num_electrodes = 2; *************** *** 548,552 **** QObject::tr( "Define Reaction Mechanism!" ) ); this->inform(DialogAspect("ExperimentDialog","ElectrodeRemoved")); - _cond_data->ec.num_electrodes = 2; } this->inform(DialogAspect("ExperimentDialog","Applied")); --- 548,551 ---- |
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From: beeblbrox <bee...@us...> - 2008-03-27 15:29:04
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Update of /cvsroot/echempp/Model/Solvers In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv6295/Model/Solvers Modified Files: Makefile.am Log Message: Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Model/Solvers/Makefile.am,v retrieving revision 1.49 retrieving revision 1.50 diff -C2 -d -r1.49 -r1.50 *** Makefile.am 11 Dec 2007 09:19:12 -0000 1.49 --- Makefile.am 27 Mar 2008 15:28:59 -0000 1.50 *************** *** 91,95 **** solversTypes.hpp \ tree.hpp ! libeppSolvers_la_CXXFLAGS = -Wall -Werror -pedantic-errors\ -Wno-long-long --- 91,95 ---- solversTypes.hpp \ tree.hpp ! libeppSolvers_la_CXXFLAGS = -Wall -Wno-non-virtual-dtor -Werror -pedantic-errors\ -Wno-long-long |
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From: beeblbrox <bee...@us...> - 2008-03-27 15:10:29
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Update of /cvsroot/echempp/Model/Problem In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv31018/Model/Problem Modified Files: Makefile.am Log Message: To avoid GMM++ induced build error. Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Model/Problem/Makefile.am,v retrieving revision 1.10 retrieving revision 1.11 diff -C2 -d -r1.10 -r1.11 *** Makefile.am 22 Dec 2007 15:56:35 -0000 1.10 --- Makefile.am 27 Mar 2008 15:10:24 -0000 1.11 *************** *** 11,15 **** transport.hpp \ problemError.hpp ! libeppProblem_la_CXXFLAGS = -Wall -Werror -pedantic-errors -Wno-long-long libeppProblem_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 --- 11,15 ---- transport.hpp \ problemError.hpp ! libeppProblem_la_CXXFLAGS = -Wall -Wno-non-virtual-dtor -Werror -pedantic-errors -Wno-long-long libeppProblem_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 |
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From: beeblbrox <bee...@us...> - 2008-03-27 15:04:51
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Update of /cvsroot/echempp In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv28444 Removed Files: build.sh Log Message: Removed. --- build.sh DELETED --- |
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From: beeblbrox <bee...@us...> - 2008-03-27 14:38:28
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Update of /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv17085/GUI/Windows/Qt/EChem++/Model Modified Files: experimentDialog.cpp Log Message: Fixed subtle bug in experiment dialog initialization. Index: experimentDialog.cpp =================================================================== RCS file: /cvsroot/echempp/GUI/Windows/Qt/EChem++/Model/experimentDialog.cpp,v retrieving revision 1.17 retrieving revision 1.18 diff -C2 -d -r1.17 -r1.18 *** experimentDialog.cpp 27 Mar 2008 13:11:52 -0000 1.17 --- experimentDialog.cpp 27 Mar 2008 14:38:24 -0000 1.18 *************** *** 78,81 **** --- 78,82 ---- _cond_data->ec.dimension = 1; _cond_data->ec.num_electrodes = 2; + _electrodeCheckBox->setChecked(TRUE); _geometry = new ecco::Geometry1D(); |
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From: beeblbrox <bee...@us...> - 2008-03-27 14:30:27
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Update of /cvsroot/echempp/Model/Numerics In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv13521/Model/Numerics Modified Files: Makefile.am Log Message: Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Model/Numerics/Makefile.am,v retrieving revision 1.10 retrieving revision 1.11 diff -C2 -d -r1.10 -r1.11 *** Makefile.am 27 Mar 2008 14:14:35 -0000 1.10 --- Makefile.am 27 Mar 2008 14:30:20 -0000 1.11 *************** *** 13,17 **** lubichQr.cpp \ numericsError.hpp ! libeppNumerics_la_CXXFLAGS = -Wall -Wno-virtual-dtor -Werror -pedantic-errors -Wno-long-long libeppNumerics_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 --- 13,17 ---- lubichQr.cpp \ numericsError.hpp ! libeppNumerics_la_CXXFLAGS = -Wall -Wno-non-virtual-dtor -Werror -pedantic-errors -Wno-long-long libeppNumerics_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 |
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From: beeblbrox <bee...@us...> - 2008-03-27 14:14:44
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Update of /cvsroot/echempp/Model/Numerics In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv6541/Model/Numerics Modified Files: Makefile.am Log Message: Disabled compiler warnings due to non-virtual dtors in GMM++. Index: Makefile.am =================================================================== RCS file: /cvsroot/echempp/Model/Numerics/Makefile.am,v retrieving revision 1.9 retrieving revision 1.10 diff -C2 -d -r1.9 -r1.10 *** Makefile.am 22 Dec 2007 15:56:34 -0000 1.9 --- Makefile.am 27 Mar 2008 14:14:35 -0000 1.10 *************** *** 13,17 **** lubichQr.cpp \ numericsError.hpp ! libeppNumerics_la_CXXFLAGS = -Wall -Werror -pedantic-errors -Wno-long-long libeppNumerics_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 --- 13,17 ---- lubichQr.cpp \ numericsError.hpp ! libeppNumerics_la_CXXFLAGS = -Wall -Wno-virtual-dtor -Werror -pedantic-errors -Wno-long-long libeppNumerics_la_LDFLAGS = $(MODEL_LDFLAGS) -version-info 0:0:0 |
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From: beeblbrox <bee...@us...> - 2008-03-27 13:39:51
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Update of /cvsroot/echempp/Model/Ecco In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv23092/Model/Ecco Modified Files: parser.hpp Log Message: Patched back to have all examples working. Index: parser.hpp =================================================================== RCS file: /cvsroot/echempp/Model/Ecco/parser.hpp,v retrieving revision 1.14 retrieving revision 1.15 diff -C2 -d -r1.14 -r1.15 *** parser.hpp 7 Mar 2007 20:41:16 -0000 1.14 --- parser.hpp 27 Mar 2008 13:39:47 -0000 1.15 *************** *** 345,363 **** ; ! ion ! = boost::spirit::leaf_node_d ! [ ! boost::spirit::lexeme_d ! [ ! +( boost::spirit::alnum_p | '(' | '[' ) ! >> *( boost::spirit::alnum_p | ']' | ')' | '_' | '-' ) ! >> boost::spirit::ch_p('^') ! >> boost::spirit::ch_p('(') ! >> +boost::spirit::digit_p ! >> ( boost::spirit::ch_p('+') | '-' ) ! >> boost::spirit::ch_p(')') ! ] ! ] ! ; neutrum --- 345,363 ---- ; ! // ion ! // = boost::spirit::leaf_node_d ! // [ ! // boost::spirit::lexeme_d ! // [ ! // +( boost::spirit::alnum_p | '(' | '[' ) ! // >> *( boost::spirit::alnum_p | ']' | ')' | '_' | '-' ) ! // >> boost::spirit::ch_p('^') ! // >> boost::spirit::ch_p('(') ! // >> +boost::spirit::digit_p ! // >> ( boost::spirit::ch_p('+') | '-' ) ! // >> boost::spirit::ch_p(')') ! // ] ! // ] ! // ; neutrum *************** *** 372,386 **** ; ! adsIon ! = boost::spirit::leaf_node_d ! [ ! boost::spirit::lexeme_d ! [ ! +( boost::spirit::alnum_p | '(' | '[' ) >> ! *( boost::spirit::alnum_p | ']' | ')' | '_' | '-' ) ! >> boost::spirit::ch_p('^') >> boost::spirit::ch_p('(') >> +boost::spirit::digit_p >> ( boost::spirit::ch_p('+') | '-' ) >> boost::spirit::ch_p(')') >> boost::spirit::str_p("{ads}") ! ] ! ] ! ; adsNeutrum --- 372,386 ---- ; ! // adsIon ! // = boost::spirit::leaf_node_d ! // [ ! // boost::spirit::lexeme_d ! // [ ! // +( boost::spirit::alnum_p | '(' | '[' ) >> ! // *( boost::spirit::alnum_p | ']' | ')' | '_' | '-' ) ! // >> boost::spirit::ch_p('^') >> boost::spirit::ch_p('(') >> +boost::spirit::digit_p >> ( boost::spirit::ch_p('+') | '-' ) >> boost::spirit::ch_p(')') >> boost::spirit::str_p("{ads}") ! // ] ! // ] ! // ; adsNeutrum *************** *** 450,461 **** symbol ! = boost::spirit::leaf_node_d [ ! boost::spirit::lexeme_d ! [ ! +(boost::spirit::alnum_p | '[' | ']' | '(' | ')' | '{' | '}' | '^' | '+' | '-' | '_' | ',' ) ! ] ! ] ! ; //----------------------------------------------------------------- --- 450,461 ---- symbol ! = boost::spirit::leaf_node_d ! [ ! boost::spirit::lexeme_d [ ! +(boost::spirit::alnum_p | '[' | ']' | '(' | ')' | '{' | '}' | '^' | '+' | '-' | '_' | ',' ) ! ] ! ] ! ; //----------------------------------------------------------------- |
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From: beeblbrox <bee...@us...> - 2008-03-27 13:35:41
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Update of /cvsroot/echempp/Experiment/Experiment/documentation In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv21347/Experiment/Experiment/documentation Modified Files: mainpage.txt Log Message: Index: mainpage.txt =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/documentation/mainpage.txt,v retrieving revision 1.4 retrieving revision 1.5 diff -C2 -d -r1.4 -r1.5 *** mainpage.txt 9 Jan 2006 08:30:31 -0000 1.4 --- mainpage.txt 27 Mar 2008 13:35:35 -0000 1.5 *************** *** 1,3 **** ! /*! \mainpage Documentation of the Experiment sub-Module (preliminary) \author Bernd Speiser Institut für Organische Chemie, --- 1,3 ---- ! /*! \mainpage Documentation of the Experiment sub-Module \author Bernd Speiser Institut für Organische Chemie, |
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From: beeblbrox <bee...@us...> - 2008-03-27 13:34:17
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Update of /cvsroot/echempp/Experiment/Experiment In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv20897/Experiment/Experiment Modified Files: Experiment.hpp Log Message: Added new definitions for ca and cc experiments. Index: Experiment.hpp =================================================================== RCS file: /cvsroot/echempp/Experiment/Experiment/Experiment.hpp,v retrieving revision 1.10 retrieving revision 1.11 diff -C2 -d -r1.10 -r1.11 *** Experiment.hpp 22 Jan 2008 17:42:14 -0000 1.10 --- Experiment.hpp 27 Mar 2008 13:34:12 -0000 1.11 *************** *** 178,184 **** virtual void set_cond_data(ConditionData* cd) {} //! Retrieve the measurement data. ! virtual MeasurementData* get_meas_data() const { return NULL; } //! Set the measurement data. ! virtual void set_meas_data(MeasurementData* md) {} private: std::string title_; --- 178,184 ---- virtual void set_cond_data(ConditionData* cd) {} //! Retrieve the measurement data. ! virtual MeasurementDataBase* get_meas_data() const { return NULL; } //! Set the measurement data. ! virtual void set_meas_data(MeasurementDataBase* md) {} private: std::string title_; *************** *** 384,388 **** _Induced; Induced() { cond_data = NULL; meas_data = NULL; }; ! Induced(ConditionData* cd, MeasurementData* md) : cond_data(cd), meas_data(md) {}; Induced(const Induced& i) --- 384,388 ---- _Induced; Induced() { cond_data = NULL; meas_data = NULL; }; ! Induced(ConditionData* cd, MeasurementDataBase* md) : cond_data(cd), meas_data(md) {}; Induced(const Induced& i) *************** *** 473,478 **** ConditionData* get_cond_data() const { return cond_data; } void set_cond_data(ConditionData* cd) { cond_data = cd; } ! MeasurementData* get_meas_data() const { return meas_data; } ! void set_meas_data(MeasurementData* md) { meas_data = md; } private: friend class boost::serialization::access; --- 473,478 ---- ConditionData* get_cond_data() const { return cond_data; } void set_cond_data(ConditionData* cd) { cond_data = cd; } ! MeasurementDataBase* get_meas_data() const { return meas_data; } ! void set_meas_data(MeasurementDataBase* md) { meas_data = md; } private: friend class boost::serialization::access; *************** *** 483,496 **** & BOOST_SERIALIZATION_NVP(induction_start) & BOOST_SERIALIZATION_NVP(induction_end) ! & BOOST_SERIALIZATION_NVP(cond_data) ! & BOOST_SERIALIZATION_NVP(meas_data); ! // TODO: serialize exc_func } boost::posix_time::ptime induction_start; boost::posix_time::ptime induction_end; ExcitationFunctions::SDIExcitationFunction<D, I, S> exc_func; - // TODO: MeasurementData ? ConditionData *cond_data; ! MeasurementData *meas_data; }; --- 483,493 ---- & BOOST_SERIALIZATION_NVP(induction_start) & BOOST_SERIALIZATION_NVP(induction_end) ! & BOOST_SERIALIZATION_NVP(cond_data); } boost::posix_time::ptime induction_start; boost::posix_time::ptime induction_end; ExcitationFunctions::SDIExcitationFunction<D, I, S> exc_func; ConditionData *cond_data; ! MeasurementDataBase *meas_data; }; *************** *** 1015,1020 **** --- 1012,1073 ---- DualDynamicTech; typedef Induced<SimulatedDynamicTech> SimInduced; + typedef Induced<RealDynamicTech> RealInduced; + typedef Induced<DualDynamicTech> DualInduced; } // end namespace cv + namespace ca{ + typedef Technique<realism::Real, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCurrent, + ExcitationFunctions::Segments::ConstantSegment> + RealDynamicTech; + typedef Technique<realism::Simulated, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCurrent, + ExcitationFunctions::Segments::ConstantSegment> + SimulatedDynamicTech; + typedef Technique<realism::Dual, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCurrent, + ExcitationFunctions::Segments::ConstantSegment> + DualDynamicTech; + typedef Induced<SimulatedDynamicTech> SimInduced; + typedef Induced<RealDynamicTech> RealInduced; + typedef Induced<DualDynamicTech> DualInduced; + } // end namespace ca + + namespace cc{ + typedef Technique<realism::Real, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCharge, + ExcitationFunctions::Segments::ConstantSegment> + RealDynamicTech; + typedef Technique<realism::Simulated, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCharge, + ExcitationFunctions::Segments::ConstantSegment> + SimulatedDynamicTech; + typedef Technique<realism::Dual, + dynamics::Dynamic, + quantity::Time, + quantity::ElectricPotential, + quantity::ElectricCharge, + ExcitationFunctions::Segments::ConstantSegment> + DualDynamicTech; + typedef Induced<SimulatedDynamicTech> SimInduced; + typedef Induced<RealDynamicTech> RealInduced; + typedef Induced<DualDynamicTech> DualInduced; + } // end namespace cc + namespace internal{ // for internal testing of experiment classes, do not use |
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From: beeblbrox <bee...@us...> - 2008-03-27 13:28:31
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Update of /cvsroot/echempp/Experiment/Data In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv18285/Experiment/Data Modified Files: Data.hpp Log Message: Changed MeasurementData for Experiments. Index: Data.hpp =================================================================== RCS file: /cvsroot/echempp/Experiment/Data/Data.hpp,v retrieving revision 1.5 retrieving revision 1.6 diff -C2 -d -r1.5 -r1.6 *** Data.hpp 22 Jan 2008 17:42:14 -0000 1.5 --- Data.hpp 27 Mar 2008 13:28:27 -0000 1.6 *************** *** 41,532 **** #include <boost/serialization/set.hpp> #include <boost/serialization/base_object.hpp> // local includes #include "ExcitationFunction/ecExcitationFunctions.hpp" #include "PhysicalQuantities/CelsiusTemperature.h" #include "PhysicalQuantities/ThermodynamicTemperature.h" #include "PhysicalQuantities/Area.h" ! #include "../../GUI/Windows/Qt/EChem++/Model/quantityTypes.hpp" [...1115 lines suppressed...] ! friend class boost::serialization::access; ! template<class Archive> ! void serialize(Archive & ar, const unsigned int version) ! { ! ar & BOOST_SERIALIZATION_BASE_OBJECT_NVP(ConditionData) ! & BOOST_SERIALIZATION_NVP(ec) ! & BOOST_SERIALIZATION_NVP(mc) ! & BOOST_SERIALIZATION_NVP(mpc) ! & BOOST_SERIALIZATION_NVP(eqc) ! & BOOST_SERIALIZATION_NVP(sc) ! & BOOST_SERIALIZATION_NVP(vic); ! } ! }; } // end namespace experiment ! BOOST_CLASS_EXPORT(experiment::MeasurementDataCV) ! BOOST_CLASS_EXPORT(experiment::MeasurementDataCC) BOOST_CLASS_EXPORT(experiment::ConditionData) BOOST_CLASS_EXPORT(experiment::ConditionDataModSim) |
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From: beeblbrox <bee...@us...> - 2008-03-27 13:28:31
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Update of /cvsroot/echempp/Experiment/Data/test In directory sc8-pr-cvs17.sourceforge.net:/tmp/cvs-serv18285/Experiment/Data/test Modified Files: dataTest.cpp Log Message: Changed MeasurementData for Experiments. Index: dataTest.cpp =================================================================== RCS file: /cvsroot/echempp/Experiment/Data/test/dataTest.cpp,v retrieving revision 1.9 retrieving revision 1.10 diff -C2 -d -r1.9 -r1.10 *** dataTest.cpp 19 Dec 2007 13:26:08 -0000 1.9 --- dataTest.cpp 27 Mar 2008 13:28:27 -0000 1.10 *************** *** 13,65 **** // Local includes #include "../Data.hpp" - typedef DataPoint<double, double, double> DP; - typedef MeasurementData<double, double, double> MD; - - // Note: Compile and link with: - // g++ -o SerializationTest SerializationTest.cpp -lboost_unit_test_framework - - // Test creation of data points - void test_data_point() - { - DP dp1(0.3, 0.1, 0.4); - DP dp2(0.1, 0.0, 0.1); - } - - // Create some measurement data - MD create_measurement_data() - { - DP dp1(0.3, 0.1, 0.4); - DP dp2(0.1, 0.0, 0.1); - DP dp3(0.3, 0.2, 0.1); - MD m; - m.add(dp1); - m.add(dp2); - m.add(dp3); - return m; - } - // Test creation of measurement data - void test_measurement_data() - { - MD m = create_measurement_data(); - BOOST_CHECK( m.size() == 3 ); - } - - // Test serialization of measurement data void test_serialization() { - std::string dirname = "/tmp/"; - std::string filename = dirname + "md.xml"; - const MD m1 = create_measurement_data(); - MD m2; - std::ofstream ofs_xml(filename.c_str()); - boost::archive::xml_oarchive oa_xml(ofs_xml); - oa_xml << BOOST_SERIALIZATION_NVP(m1); - ofs_xml.close(); - std::ifstream ifs_xml(filename.c_str()); - boost::archive::xml_iarchive ia_xml(ifs_xml); - ia_xml >> BOOST_SERIALIZATION_NVP(m2); - ifs_xml.close(); - // BOOST_CHECK( m1 == m2 ); } --- 13,19 ---- *************** *** 67,73 **** init_unit_test_suite( int argc, char * argv[] ) { test_suite* test= BOOST_TEST_SUITE( "Data unit test" ); ! test->add(BOOST_TEST_CASE( &test_data_point ) ); ! test->add(BOOST_TEST_CASE( &test_measurement_data ) ); ! test->add( BOOST_TEST_CASE( &test_serialization ) ); return test; } --- 21,25 ---- init_unit_test_suite( int argc, char * argv[] ) { test_suite* test= BOOST_TEST_SUITE( "Data unit test" ); ! test->add( BOOST_TEST_CASE( &test_serialization ) ); return test; } |
