mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
- 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:
committed by
Greg Landrum
parent
c8ad225657
commit
c08ea49bda
@@ -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);
|
||||
|
||||
@@ -1,3 +1,5 @@
|
||||
|
||||
add_definitions(-DRDKIT_ALIGNMENT_BUILD)
|
||||
rdkit_library(Alignment AlignPoints.cpp LINK_LIBRARIES RDGeometryLib)
|
||||
|
||||
rdkit_headers(AlignPoints.h DEST Numerics/Alignment)
|
||||
|
||||
@@ -1,3 +1,4 @@
|
||||
remove_definitions(-DRDKIT_ALIGNMENT_BUILD)
|
||||
rdkit_python_extension(rdAlignment
|
||||
rdAlignment.cpp
|
||||
DEST Numerics
|
||||
|
||||
@@ -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>
|
||||
|
||||
Reference in New Issue
Block a user