From: <eg...@us...> - 2007-12-11 08:03:38
|
Revision: 9586 http://cdk.svn.sourceforge.net/cdk/?rev=9586&view=rev Author: egonw Date: 2007-12-11 00:03:36 -0800 (Tue, 11 Dec 2007) Log Message: ----------- Applied the IBond.Order patch Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/applications/jchempaint/action/AdjustBondOrdersAction.java trunk/cdk/src/org/openscience/cdk/applications/swing/editor/BondEditor.java trunk/cdk/src/org/openscience/cdk/applications/undoredo/AdjustBondOrdersEdit.java Modified: trunk/cdk/src/org/openscience/cdk/applications/jchempaint/action/AdjustBondOrdersAction.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/applications/jchempaint/action/AdjustBondOrdersAction.java 2007-12-11 07:47:18 UTC (rev 9585) +++ trunk/cdk/src/org/openscience/cdk/applications/jchempaint/action/AdjustBondOrdersAction.java 2007-12-11 08:03:36 UTC (rev 9586) @@ -72,14 +72,14 @@ Iterator bonds = ac.bonds(); while (bonds.hasNext()) { IBond bond = (IBond) bonds.next(); - bond.setOrder(1.0); + bond.setOrder(IBond.Order.SINGLE); } for (int j=0; j<containerCopy.getBondCount(); j++) { org.openscience.cdk.interfaces.IBond bondCopy = containerCopy.getBond(j); org.openscience.cdk.interfaces.IBond bond = ac.getBond(j); if (bond.getOrder() != bondCopy.getOrder()) { - double[] bondOrders = new double[2]; + IBond.Order[] bondOrders = new IBond.Order[2]; bondOrders[0] = bond.getOrder(); bondOrders[1] = bondCopy.getOrder(); changedBonds.put(bond, bondOrders); @@ -111,7 +111,7 @@ org.openscience.cdk.interfaces.IBond bondCopy = containerCopy.getBond(j); org.openscience.cdk.interfaces.IBond bond = ac.getBond(j); if (bond.getOrder() != bondCopy.getOrder()) { - double[] bondOrders = new double[2]; + IBond.Order[] bondOrders = new IBond.Order[2]; bondOrders[0] = bond.getOrder(); bondOrders[1] = bondCopy.getOrder(); changedBonds.put(bond, bondOrders); Modified: trunk/cdk/src/org/openscience/cdk/applications/swing/editor/BondEditor.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/applications/swing/editor/BondEditor.java 2007-12-11 07:47:18 UTC (rev 9585) +++ trunk/cdk/src/org/openscience/cdk/applications/swing/editor/BondEditor.java 2007-12-11 08:03:36 UTC (rev 9586) @@ -28,6 +28,7 @@ import org.openscience.cdk.interfaces.IBond; import org.openscience.cdk.interfaces.IChemObject; +import org.openscience.cdk.tools.manipulator.BondManipulator; /** * @cdk.module applications @@ -64,8 +65,14 @@ public void applyChanges() { IBond bond = (IBond)source; try { - double newOrder = Double.parseDouble(orderField.getText()); - bond.setOrder(newOrder); + IBond.Order newOrder = BondManipulator.createBondOrder( + Double.parseDouble(orderField.getText()) + ); + if (newOrder == null) { + JOptionPane.showMessageDialog(null, "The entered bond order is not a valid bond order: " + orderField.getText()); + } else { + bond.setOrder(newOrder); + } } catch (NumberFormatException exception) { JOptionPane.showMessageDialog(null, "The entered bond order is not a double: " + orderField.getText()); } Modified: trunk/cdk/src/org/openscience/cdk/applications/undoredo/AdjustBondOrdersEdit.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/applications/undoredo/AdjustBondOrdersEdit.java 2007-12-11 07:47:18 UTC (rev 9585) +++ trunk/cdk/src/org/openscience/cdk/applications/undoredo/AdjustBondOrdersEdit.java 2007-12-11 08:03:36 UTC (rev 9586) @@ -32,6 +32,7 @@ import javax.swing.undo.CannotUndoException; import org.openscience.cdk.interfaces.IBond; +import org.openscience.cdk.tools.manipulator.BondManipulator; /** * Undo/Redo Edit class for the AdjustBondOrdesAction, containing the methods @@ -66,7 +67,7 @@ Iterator it = keys.iterator(); while (it.hasNext()) { IBond bond = (IBond) it.next(); - double[] bondOrders = (double[]) changedBondOrders.get(bond); + IBond.Order[] bondOrders = (IBond.Order[]) changedBondOrders.get(bond); bond.setOrder(bondOrders[0]); } } @@ -81,7 +82,7 @@ Iterator it = keys.iterator(); while (it.hasNext()) { IBond bond = (IBond) it.next(); - double[] bondOrders = (double[]) changedBondOrders.get(bond); + IBond.Order[] bondOrders = (IBond.Order[]) changedBondOrders.get(bond); bond.setOrder(bondOrders[1]); } } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |