- enable building DLLs on Windows (#1861)

* - enable building DLLs on Windows

* - export.h and test.h are now auto-generated by CMake
This commit is contained in:
Paolo Tosco
2018-05-16 07:42:41 +01:00
committed by Greg Landrum
parent c8ad225657
commit c08ea49bda
507 changed files with 4308 additions and 6863 deletions

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@@ -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);

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

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

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@@ -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>