this builds and tests clean on linux. Windows still needs to be updated

Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp

@@ -22,7 +22,7 @@ namespace RDInfoTheory {
   PyObject *getCorrMatrix(BitCorrMatGenerator *cmGen) {
     double *dres = cmGen->getCorrMat();
     unsigned int nb = cmGen->getCorrBitList().size();
-    unsigned int dim = nb*(nb-1)/2;
+    int dim = nb*(nb-1)/2;
     PyArrayObject *res = (PyArrayObject *)PyArray_FromDims(1,&dim,PyArray_DOUBLE);
     memcpy(static_cast<void *>(res->data),
            static_cast<void *>(dres), dim*sizeof(double));

Code/SimDivPickers/DistPicker.cpp

@@ -7,4 +7,14 @@
 #include "DistPicker.h"
 
 namespace RDPickers {
+  double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j){
+    CHECK_INVARIANT(distMat, "");
+    if (i == j) {
+      return 0.0;
+    } else if (i > j) {
+      return distMat[i*(i-1)/2 + j];
+    } else {
+      return distMat[j*(j-1)/2 + i];
+    }
+  }
 }

Code/SimDivPickers/DistPicker.h

@@ -23,16 +23,7 @@ namespace RDPickers {
    *    if (i > j) : distMat[i*(i-1)/2 + j]
    *    if (j < i) : distMat[j*(j-1)/2 + i]
    */
-  double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j){
-    CHECK_INVARIANT(distMat, "");
-    if (i == j) {
-      return 0.0;
-    } else if (i > j) {
-      return distMat[i*(i-1)/2 + j];
-    } else {
-      return distMat[j*(j-1)/2 + i];
-    }
-  }
+  double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j);
       
   /*! \brief Abstract base class to do perform item picking (typically molecules) using a 
    *         distance matrix
@@ -48,6 +39,7 @@ namespace RDPickers {
      *
      */
     DistPicker(){};
+    virtual ~DistPicker() {};
     
     /*! \brief this is a virtual function specific to the type of algorihtm used
      *

Code/SimDivPickers/Wrap/testPickers.py

@@ -41,8 +41,6 @@ class TestCase(unittest.TestCase):
       clbl = labels[cl[0]]
       for id in cl:
         assert clbl == labels[id]
-
-
     hierarch = pkr.Pick(self.dMat, i, 2)
     assert tuple(hierarch) == (1,30)