From: <to...@us...> - 2006-07-05 14:46:50
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Revision: 6592 Author: tohel Date: 2006-07-05 07:46:29 -0700 (Wed, 05 Jul 2006) ViewCVS: http://svn.sourceforge.net/cdk/?rev=6592&view=rev Log Message: ----------- -added dataFeatures to HINFormat -added hasAtomElementSymbol dataFeature Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/io/formats/CMLFormat.java trunk/cdk/src/org/openscience/cdk/io/formats/HINFormat.java trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java Modified: trunk/cdk/src/org/openscience/cdk/io/formats/CMLFormat.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/io/formats/CMLFormat.java 2006-07-05 12:58:31 UTC (rev 6591) +++ trunk/cdk/src/org/openscience/cdk/io/formats/CMLFormat.java 2006-07-05 14:46:29 UTC (rev 6592) @@ -78,7 +78,8 @@ DataFeatures.HAS_ATOM_FORMAL_CHARGES | DataFeatures.HAS_ATOM_MASS_NUMBERS | DataFeatures.HAS_ATOM_ISOTOPE_NUMBERS | - DataFeatures.HAS_GRAPH_REPRESENTATION; + DataFeatures.HAS_GRAPH_REPRESENTATION | + DataFeatures.HAS_ATOM_ELEMENT_SYMBOL; } public int getRequiredDataFeatures() { Modified: trunk/cdk/src/org/openscience/cdk/io/formats/HINFormat.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/io/formats/HINFormat.java 2006-07-05 12:58:31 UTC (rev 6591) +++ trunk/cdk/src/org/openscience/cdk/io/formats/HINFormat.java 2006-07-05 14:46:29 UTC (rev 6592) @@ -77,10 +77,13 @@ } public int getSupportedDataFeatures() { - return DataFeatures.HAS_3D_COORDINATES; + return getRequiredDataFeatures() | + DataFeatures.HAS_GRAPH_REPRESENTATION; } public int getRequiredDataFeatures() { - return DataFeatures.NONE; + return DataFeatures.HAS_3D_COORDINATES | + DataFeatures.HAS_ATOM_PARTIAL_CHARGES | + DataFeatures.HAS_ATOM_ELEMENT_SYMBOL; } } Modified: trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java 2006-07-05 12:58:31 UTC (rev 6591) +++ trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java 2006-07-05 14:46:29 UTC (rev 6592) @@ -65,31 +65,32 @@ // ATOMIC FEATURES // HAS_ATOMS ?? // HAS_ATOM_ELEMENT_SYMBOLS ?? - + /** @cdk.dictref bodf:hasAtomElementSymbol */ + public final static int HAS_ATOM_ELEMENT_SYMBOL = 1<<3; /** @cdk.dictref bodf:partialAtomicCharges */ - public final static int HAS_ATOM_PARTIAL_CHARGES = 1<<3; + public final static int HAS_ATOM_PARTIAL_CHARGES = 1<<4; /** @cdk.dictref bodf:formalAtomicCharges */ - public final static int HAS_ATOM_FORMAL_CHARGES = 1<<4; + public final static int HAS_ATOM_FORMAL_CHARGES = 1<<5; /** FIXME: NOT YET IN BODF !!! **/ - public final static int HAS_ATOM_HYBRIDIZATIONS = 1<<5; + public final static int HAS_ATOM_HYBRIDIZATIONS = 1<<6; /** @cdk.dictref bodf:massNumbers */ - public final static int HAS_ATOM_MASS_NUMBERS = 1<<6; + public final static int HAS_ATOM_MASS_NUMBERS = 1<<7; /** @cdk.dictref bodf:isotopeNumbers */ - public final static int HAS_ATOM_ISOTOPE_NUMBERS = 1<<7; + public final static int HAS_ATOM_ISOTOPE_NUMBERS = 1<<8; // GRAPH FEATURES /** @cdk.dictref bodf:graphRepresentation */ - public final static int HAS_GRAPH_REPRESENTATION = 1<<8; + public final static int HAS_GRAPH_REPRESENTATION = 1<<9; /** @cdk.dictref bodf:dietzRepresentation */ - public final static int HAS_DIETZ_REPRESENTATION = 1<<9; + public final static int HAS_DIETZ_REPRESENTATION = 1<<10; // MODEL FEATURES /** FIXME: NOT YET IN BODF !!! **/ - public final static int HAS_UNITCELL_PARAMETERS = 1<<10; + public final static int HAS_UNITCELL_PARAMETERS = 1<<11; /** FIXME: NOT YET IN BODF !!! **/ - public final static int HAS_REACTIONS = 1<<11; + public final static int HAS_REACTIONS = 1<<12; } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |