diff --git a/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java b/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java index 0d597aa7996..4871a3ef655 100755 --- a/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java +++ b/base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java @@ -1,4 +1,4 @@ -/* Copyright (C) 2007-2008 Egon Willighagen +/* Copyright (C) 2007-2015 Egon Willighagen * 2011 Nimish Gopal * 2011 Syed Asad Rahman * 2011 Gilleain Torrance @@ -1018,7 +1018,7 @@ private boolean isAmide(IAtom atom, IAtomContainer atomContainer) { List neighbors = atomContainer.getConnectedAtomsList(atom); for (IAtom neighbor : neighbors) { if (neighbor.getSymbol().equals("C")) { - if (countAttachedDoubleBonds(atomContainer, neighbor, "O") == 1) return true; + if (countAttachedDoubleBonds(atomContainer.getConnectedBondsList(neighbor), neighbor, "O") == 1) return true; } } return false; @@ -1028,7 +1028,7 @@ private boolean isThioAmide(IAtom atom, IAtomContainer atomContainer) { List neighbors = atomContainer.getConnectedAtomsList(atom); for (IAtom neighbor : neighbors) { if (neighbor.getSymbol().equals("C")) { - if (countAttachedDoubleBonds(atomContainer, neighbor, "S") == 1) return true; + if (countAttachedDoubleBonds(atomContainer.getConnectedBondsList(neighbor), neighbor, "S") == 1) return true; } } return false; @@ -2359,10 +2359,6 @@ private int countAttachedDoubleBonds(List connectedAtoms, IAtom atom, Str return countAttachedBonds(connectedAtoms, atom, IBond.Order.DOUBLE, symbol); } - private int countAttachedDoubleBonds(IAtomContainer container, IAtom atom, String symbol) { - return countAttachedBonds(container, atom, IBond.Order.DOUBLE, symbol); - } - private IAtomType perceiveCobalt(IAtomContainer atomContainer, IAtom atom) throws CDKException { if (hasOneSingleElectron(atomContainer, atom)) { // no idea how to deal with this yet @@ -2431,20 +2427,6 @@ private boolean hasAromaticBond(List connectedBonds) { return false; } - /** - * Count the number of doubly bonded atoms. - * - * @param container the molecule in which to look - * @param atom the atom being looked at - * @param order the desired bond order of the attached bonds - * @param symbol If not null, then it only counts the double bonded atoms which - * match the given symbol. - * @return the number of doubly bonded atoms - */ - private int countAttachedBonds(IAtomContainer container, IAtom atom, IBond.Order order, String symbol) { - return countAttachedBonds(container.getConnectedBondsList(atom), atom, order, symbol); - } - /** * Count the number of doubly bonded atoms. *