From: Egon W. <eg...@us...> - 2003-07-23 14:03:57
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/tools In directory sc8-pr-cvs1:/tmp/cvs-serv1921/src/org/openscience/cdk/tools Modified Files: ReactionManipulator.java Log Message: Use doubles for stoichiometry coefficients instead of ints Index: ReactionManipulator.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/tools/ReactionManipulator.java,v retrieving revision 1.4 retrieving revision 1.5 diff -u -r1.4 -r1.5 --- ReactionManipulator.java 23 Jul 2003 13:26:12 -0000 1.4 +++ ReactionManipulator.java 23 Jul 2003 14:03:54 -0000 1.5 @@ -99,12 +99,12 @@ } Molecule[] reactants = reaction.getReactants(); for (int i=0; i<reactants.length; i++) { - int coefficient = reaction.getReactantCoefficient(reactants[i]); + double coefficient = reaction.getReactantCoefficient(reactants[i]); reversedReaction.addProduct(reactants[i], coefficient); } Molecule[] products = reaction.getProducts(); for (int i=0; i<products.length; i++) { - int coefficient = reaction.getProductCoefficient(products[i]); + double coefficient = reaction.getProductCoefficient(products[i]); reversedReaction.addReactant(products[i], coefficient); } return reversedReaction; |