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Removed unused local variables (PMD report).
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Signed-off-by: John May <john.wilkinsonmay@gmail.com>
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Mark B Vine authored and johnmay committed Aug 29, 2014
1 parent d54f38e commit f6656e0
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Showing 5 changed files with 0 additions and 9 deletions.
Expand Up @@ -131,7 +131,6 @@ public void removeAtomContainer(int pos) {
* @param container the replacement AtomContainer
*/
public void replaceAtomContainer(int position, IAtomContainer container) {
IAtomContainer old = atomContainers[position];
atomContainers[position] = container;
}

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Expand Up @@ -130,7 +130,6 @@ public IRingSet findAllRings(IAtomContainer container) throws CDKException {
public IRingSet findAllRings(IAtomContainer container,
int maxRingSize) throws CDKException {

final int m = container.getBondCount();
final EdgeToBondMap edges = EdgeToBondMap.withSpaceFor(container);
final int[][] graph = GraphUtil.toAdjList(container, edges);

Expand Down Expand Up @@ -199,7 +198,6 @@ public IRingSet findAllRingsInIsolatedRingSystem(IAtomContainer atomContainer,
int maxRingSize) throws
CDKException {

final int m = atomContainer.getBondCount();
final EdgeToBondMap edges = EdgeToBondMap.withSpaceFor(atomContainer);
final int[][] graph = GraphUtil.toAdjList(atomContainer, edges);

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Expand Up @@ -410,7 +410,6 @@ public static int countExplicitHydrogens(IAtomContainer atomContainer, IAtom ato
public static void convertImplicitToExplicitHydrogens(IAtomContainer atomContainer) {
List<IAtom> hydrogens = new ArrayList<IAtom>();
List<IBond> newBonds = new ArrayList<IBond>();
List<Integer> atomIndex = new ArrayList<Integer>();

// store a single explicit hydrogen of each original neighbor
Map<IAtom,IAtom> hNeighbor = Maps.newHashMapWithExpectedSize(atomContainer.getAtomCount());
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Expand Up @@ -371,7 +371,6 @@ public static double[] getQSARs(IAtomContainer container, IBond bond) throws CD
private static double getDTHalogenF(double[] resultsH) {
double result = 0.0;
double SE = resultsH[0];
double PE = resultsH[1];
double PSC = resultsH[2];
double PIC = resultsH[3];
double ETP = resultsH[4];
Expand Down Expand Up @@ -452,7 +451,6 @@ private static double getDTBondF(double[] resultsH) {
double PSC = resultsH[2];
double PIC = resultsH[3];
double ETP = resultsH[4];
double SPC = resultsH[5];
double COUNTR = resultsH[6];

// System.out.println("SE : "+SE+", PE : "+PE+", PSC : "+PSC+", PIC : "+PIC+", ETP : "+ETP+", SPC : "+SPC+", COUNTR : "+COUNTR);
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Expand Up @@ -402,7 +402,6 @@ public DescriptorValue calculate(IAtom atom, IAtomContainer atomContainer, IRing
smooth = -1.15;
int goodPosition = 0;
IBond goodBond;
int counter = 0;
for(double ghd = limitInf; ghd < limitSup; ghd = ghd + step) {
sum = 0;
for( int dou = 0; dou < doubles.size(); dou++ ) {
Expand Down Expand Up @@ -436,7 +435,6 @@ public DescriptorValue calculate(IAtom atom, IAtomContainer atomContainer, IRing
//gDr_function.add(new Double(sum));
rdfProtonCalculatedValues.add(sum);
logger.debug("GDR prob dist.: " + sum + " at distance " + ghd);
counter++;
}
}
else {
Expand Down Expand Up @@ -543,7 +541,6 @@ private int getNearestBondtoAGivenAtom(IAtomContainer mol, IAtom atom, IBond bon
double[] values;
double distance = 0;
IAtom atom0 = bond.getAtom(0);
IAtom atom1 = bond.getAtom(1);
List<IBond> bondsAtLeft = mol.getConnectedBondsList(atom0);
int partial;
for (int i = 0; i < bondsAtLeft.size(); i++) {
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