- enable building DLLs on Windows (#1861)

* - enable building DLLs on Windows

* - export.h and test.h are now auto-generated by CMake

Code/Numerics/Alignment/AlignPoints.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #ifndef __RD_ALIGN_POINTS_H__
 #define __RD_ALIGN_POINTS_H__
 
@@ -37,7 +38,7 @@ namespace Alignments {
   This function returns the sum of squared distance (SSR) not the RMSD
   RMSD = sqrt(SSR/numPoints)
 */
-double AlignPoints(const RDGeom::Point3DConstPtrVect &refPoints,
+double RDKIT_ALIGNMENT_EXPORT AlignPoints(const RDGeom::Point3DConstPtrVect &refPoints,
                    const RDGeom::Point3DConstPtrVect &probePoints,
                    RDGeom::Transform3D &trans, const DoubleVector *weights = 0,
                    bool reflect = false, unsigned int maxIterations = 50);

Code/Numerics/Alignment/CMakeLists.txt

@@ -1,3 +1,5 @@
+
+add_definitions(-DRDKIT_ALIGNMENT_BUILD)
 rdkit_library(Alignment AlignPoints.cpp LINK_LIBRARIES RDGeometryLib)
 
 rdkit_headers(AlignPoints.h DEST Numerics/Alignment)

Code/Numerics/Alignment/Wrap/CMakeLists.txt

@@ -1,3 +1,4 @@
+remove_definitions(-DRDKIT_ALIGNMENT_BUILD)
 rdkit_python_extension(rdAlignment
                        rdAlignment.cpp
                        DEST Numerics 

Code/Numerics/Alignment/testAlignment.cpp

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/test.h>
 #include "AlignPoints.h"
 #include <Numerics/Vector.h>
 #include <RDGeneral/utils.h>

Code/Numerics/EigenSolvers/CMakeLists.txt

@@ -1,3 +1,5 @@
+
+add_definitions(-DRDKIT_EIGENSOLVERS_BUILD)
 rdkit_library(EigenSolvers PowerEigenSolver.cpp LINK_LIBRARIES RDGeneral)
 
 rdkit_headers(PowerEigenSolver.h DEST Numerics/EigenSolvers)

Code/Numerics/EigenSolvers/PowerEigenSolver.h

@@ -8,6 +8,7 @@
 //  of the RDKit source tree.
 //
 
+#include <RDBoost/export.h>
 #ifndef _RD_POWER_EIGENSOLVER_H
 #define _RD_POWER_EIGENSOLVER_H
 
@@ -52,7 +53,7 @@ We use the iterative power method, which works like this:
 
 
 */
-bool powerEigenSolver(unsigned int numEig, DoubleSymmMatrix &mat,
+bool RDKIT_EIGENSOLVERS_EXPORT powerEigenSolver(unsigned int numEig, DoubleSymmMatrix &mat,
                       DoubleVector &eigenValues, DoubleMatrix *eigenVectors = 0,
                       int seed = -1);
 //! \overload

Code/Numerics/EigenSolvers/testEigenSolvers.cpp

@@ -8,6 +8,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/test.h>
 #include "PowerEigenSolver.h"
 #include <Numerics/Matrix.h>
 #include <Numerics/SquareMatrix.h>

Code/Numerics/Matrix.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #ifndef __RD_MATRIX_H__
 #define __RD_MATRIX_H__
 

Code/Numerics/Optimizer/BFGSOpt.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #include <math.h>
 #include <RDGeneral/Invariant.h>
 #include <GraphMol/Trajectory/Snapshot.h>
@@ -15,6 +16,8 @@
 #include <algorithm>
 
 namespace BFGSOpt {
+RDKIT_OPTIMIZER_EXPORT extern int HEAD_ONLY_LIBRARY;
+RDKIT_OPTIMIZER_EXPORT extern int REALLY_A_HEADER_ONLY_LIBRARY;
 const double FUNCTOL =
     1e-4;  //!< Default tolerance for function convergence in the minimizer
 const double MOVETOL =

Code/Numerics/Optimizer/CMakeLists.txt

@@ -1,6 +1,8 @@
+
+add_definitions(-DRDKIT_OPTIMIZER_BUILD)
 rdkit_library(Optimizer 
               BFGSOpt.cpp LinearSearch.cpp
-              LINK_LIBRARIES RDGeometryLib)
+              LINK_LIBRARIES RDGeometryLib Trajectory)
 
 rdkit_headers(BFGSOpt.h DEST Numerics/Optimizer)
 

Code/Numerics/Optimizer/testOptimizer.cpp

@@ -8,6 +8,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/test.h>
 #include <iostream>
 #include <math.h>
 #include <RDGeneral/Invariant.h>

Code/Numerics/SquareMatrix.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #ifndef __RD_SQUARE_MATRIX_H__
 #define __RD_SQUARE_MATRIX_H__
 

Code/Numerics/SymmMatrix.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #ifndef __RD_SYMM_MATRIX_H__
 #define __RD_SYMM_MATRIX_H__
 

Code/Numerics/Vector.h

@@ -7,6 +7,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/export.h>
 #ifndef __RD_VECTOR_H__
 #define __RD_VECTOR_H__
 

Code/Numerics/testMatrices.cpp

@@ -8,6 +8,7 @@
 //  which is included in the file license.txt, found at the root
 //  of the RDKit source tree.
 //
+#include <RDBoost/test.h>
 #include "Matrix.h"
 #include "SquareMatrix.h"
 #include "SymmMatrix.h"