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added some logging
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olas committed Sep 7, 2012
1 parent 83fdd99 commit 076ac6a
Showing 1 changed file with 9 additions and 3 deletions.
Expand Up @@ -133,8 +133,9 @@ public Map<IMolecule, AtomSignatures> generate(List<? extends IMolecule> mols,
try {

AtomSignatures as = generate( mol , height);

// logger.debug("Mol=" + mol + ", height=" + height + ", SIGNS=" + as.getSignatures());

logger.debug("Genrated " + as.getSignatures().size() + " for height " + height);
logger.debug("Mol=" + mol + ", height=" + height + ", SIGNS=" + as.getSignatures());

if (as.getSignatures() == null || as.getSignatures().size()<=0)
logger.error( "No signatures generated for for molecule: "
Expand Down Expand Up @@ -266,7 +267,7 @@ public DenseDataset generateDataset(List<? extends IMolecule> mols, int height,
i++;
if (i%100==0){
monitor.subTask("Processed " + i + "/" + signMap.keySet().size() + " molecules");
System.out.println("Processed " + i + "/" + signMap.keySet().size() + " molecules");
// System.out.println("Processed " + i + "/" + signMap.keySet().size() + " molecules");
}

//Handle name of molecule
Expand Down Expand Up @@ -347,15 +348,20 @@ public SparseDataset generateSparseDataset(List<? extends IMolecule> mols, List<
Map<IMolecule, AtomSignatures> tempMap = generate(mols, height.intValue(), new SubProgressMonitor(monitor, 1));
if (signMap==null){
signMap=tempMap;
// System.out.println("Added " + tempMap.get(mols.get(0)).getSignatures().size() + " signatures");
}
else{
//Add all to list
for (IMolecule mol : signMap.keySet()){
signMap.get(mol).addSignatures(tempMap.get(mol).getSignatures());
// System.out.println("Added another " + tempMap.get(mol).getSignatures().size() + " signatures");
}
}
}

// System.out.println("The total number of generated signatures is: " + signMap.get(mols.get(0)).getSignatures().size() );
// System.out.println("The generated signatures are: " + signMap.get(mols.get(0)).getSignatures() );

//Add all atom signatures to a unique list
List<String> allSignaturesList=new ArrayList<String>();
for (IMolecule mol : signMap.keySet()){
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