1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
|
//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
//------------------------------------------------------------------------------
#include <boost/python.hpp>
using namespace boost::python;
#include <ost/geom/geom.hh>
using namespace geom;
Real (*Vec3Length)(const Vec3& ) = &Length;
Real (*Vec3Length2)(const Vec3& ) = &Length2;
bool (*Vec3Equal)(const Vec3& v1, const Vec3& v2, Real epsilon) = ⩵
bool (*Mat3Equal)(const Mat3& m1, const Mat3& m2, Real epsilon) = ⩵
Real (*Mat3Dot)(const Vec3& v1, const Vec3& v2) = ¨
Vec3 (*Vec3CompMultiply)(const Vec3& v1, const Vec3& v2) = &CompMultiply;
Real (*Vec3Distance)(const Vec3& v1, const Vec3& v2) = &Distance;
Vec3 (*Vec3CompDivide)(const Vec3& v1, const Vec3& v2) = &CompDivide;
Real (*Mat3Det)(const Mat3& m) = &Det;
Vec3 (*Vec3Cross)(const Vec3& v1, const Vec3& v2) = ⨯
Mat3 (*Mat3Invert)(const Mat3& m) = &Invert;
Mat3 (*Mat3Transpose)(const Mat3& m) = &Transpose;
Real (*Mat3Comp)(const Mat3& m, unsigned int i, unsigned int j) = &Comp;
Real (*Mat3Minor)(const Mat3& m, unsigned int i, unsigned int j) = &Minor;
Vec3 (*Vec3Min)(const Vec3&, const Vec3&) = &Min;
Vec3 (*Vec3Max)(const Vec3&, const Vec3&) = &Max;
Real (*Vec3SignedAngle)(const Vec3& v1, const Vec3& v2, const Vec3& v3) = &SignedAngle;
Real (*Vec3Distance2WithPBC)(const Vec3&, const Vec3&, const Vec3&) = &Distance2WithPBC;
Real (*Vec3DistanceWithPBC)(const Vec3&, const Vec3&, const Vec3&) = &DistanceWithPBC;
Vec3 (*wrap_vec3_1)(const Vec3&, const Vec3&, const Vec3&) = &WrapVec3;
Vec3 (*wrap_vec3_2)(const Vec3&, const Vec3&, const Vec3&, const Vec3&) = &WrapVec3;
Vec3List (*wrap_vec3list1)(const Vec3List&, const Vec3&, const Vec3&) = &WrapVec3List;
Vec3List (*wrap_vec3list2)(const Vec3List&, const Vec3&, const Vec3&, const Vec3&) = &WrapVec3List;
void export_VecMat3_op()
{
using namespace geom;
def("Length",Vec3Length);
def("Length2",Vec3Length2);
def("Equal",Vec3Equal, (arg("v1"), arg("v2"), arg("epsilon")=EPSILON));
def("CompMultiply",Vec3CompMultiply);
def("CompDivide",Vec3CompDivide);
def("Distance",Vec3Distance);
def("Equal",Mat3Equal, (arg("m1"), arg("m2"), arg("epsilon")=EPSILON));
def("DihedralAngle", &DihedralAngle);
def("SignedAngle", Vec3SignedAngle, (arg("v1"), arg("v2"),arg("ref_normal")));
def("Dot",Mat3Dot);
def("Det",Mat3Det);
def("Cross",Vec3Cross);
def("Transpose",Mat3Transpose);
def("Invert",Mat3Invert);
def("Comp",Mat3Comp);
def("Minor",Mat3Minor);
def("EulerTransformation",EulerTransformation);
def("AxisRotation",AxisRotation);
def("OrthogonalVector",OrthogonalVector);
def("Min",Vec3Min);
def("Max",Vec3Max);
def("Distance2WithPBC",Vec3Distance2WithPBC);
def("DistanceWithPBC",Vec3DistanceWithPBC);
def("MinDistance",MinDistance);
def("MinDistanceIndices",MinDistanceIndices);
def("MinDistanceWithPBC",MinDistanceWithPBC);
def("WrapVec3",wrap_vec3_1,(arg("vector"),arg("cell_center"),arg("cell_size")));
def("WrapVec3",wrap_vec3_2,(arg("vector"),arg("cell_center"),arg("cell_size"),arg("cell_angles")));
def("WrapVec3List",wrap_vec3list1,(arg("vector_list"),arg("cell_center"),arg("cell_size")));
def("WrapVec3List",wrap_vec3list2,(arg("vector_list"),arg("cell_center"),arg("cell_size"),arg("cell_angles")));
}
|
