From: Egon W. <eg...@us...> - 2005-12-05 16:04:33
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/tools In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv7096/src/org/openscience/cdk/tools Modified Files: MFAnalyser.java Log Message: Finished clean ups: standard module is now independant of the data module. Index: MFAnalyser.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/tools/MFAnalyser.java,v retrieving revision 1.43 retrieving revision 1.44 diff -u -r1.43 -r1.44 --- MFAnalyser.java 5 Dec 2005 13:52:49 -0000 1.43 +++ MFAnalyser.java 5 Dec 2005 16:04:22 -0000 1.44 @@ -394,13 +394,11 @@ /** * Method that actually does the work of analysing the molecular formula * - * @param MF Description of the Parameter - * @param target TODO - * @return Description of the Return Value + * @param MF molecular formula to create an AtomContainer from + * @param ac AtomContainer in which the Atom's and Bond's will be stored + * @return the filled AtomContainer */ - private AtomContainer analyseMF(String MF, AtomContainer target) { - AtomContainer ac = new org.openscience.cdk.AtomContainer(); //FIXME: clean up API - + private AtomContainer analyseMF(String MF, AtomContainer ac) { char ThisChar; /* * Buffer for @@ -449,7 +447,7 @@ RecentElementCount = 1; } for (int g = 0; g < RecentElementCount; g++) { - ac.addAtom(new org.openscience.cdk.Atom(RecentElementSymbol)); + ac.addAtom(ac.getBuilder().newAtom(RecentElementSymbol)); } } } |