Searched refs:OXIDATION_NUMBER (Results 1 – 5 of 5) sorted by relevance
423 Integer oxidationNumber = atom.getProperty(Atom.OXIDATION_NUMBER); in copyAndRelabelFragment()425 oldToNewAtomMap.get(atom).setProperty(Atom.OXIDATION_NUMBER, oxidationNumber); in copyAndRelabelFragment()
524 else if (elementaryAtom.getProperty(Atom.OXIDATION_NUMBER)!=null){ in buildOxide()525 …int valency = elementaryAtom.getProperty(Atom.OXIDATION_NUMBER) - elementaryAtom.getIncomingValenc… in buildOxide()1123 if (elementaryAtom.getProperty(Atom.OXIDATION_NUMBER) != null) { in buildAdditionCompound()1124 expectedValency = elementaryAtom.getProperty(Atom.OXIDATION_NUMBER); in buildAdditionCompound()2001 …if (metalAtom.getCharge() == 0 && metalAtom.getProperty(Atom.OXIDATION_NUMBER) == null) {//if not … in getMetalsThatCanBeImplicitlyCations()2308 if (atom.getProperty(Atom.OXIDATION_NUMBER)!=null){ in processOxidationNumbers()2321 … atom.setCharge(atom.getProperty(Atom.OXIDATION_NUMBER)-chargeThatWouldFormIfLigandsWereRemoved); in processOxidationNumbers()
62 static final PropertyKey<Integer> OXIDATION_NUMBER = new PropertyKey<Integer>("oxidationNumber"); field in Atom
1156 Integer oxidationNumber = atom.getProperty(Atom.OXIDATION_NUMBER);//explicitly set oxidation state in getTimesElementaryAtomCanBeSubstituted()
701 …frag.getFirstAtom().setProperty(Atom.OXIDATION_NUMBER, Integer.parseInt(nextEl.getAttributeValue(V… in processChargeAndOxidationNumberSpecification()