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- Changed all occurrences of RDKit::PI into M_PI

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- added #ifdef M_PI (...) #endif in all relevant places
- made length() and sqLength() method consistent
  with respect to usage of pow(x, 2) vs x*x in
  Code/Geometry/point.h
- removed gzip-related boost.iostreams dependency and
  replaced with portable "cmake -E tar xzf" command
  in Code/ForceField/MMFF/CMakeLists.txt
This commit is contained in:
ptosco
2013-09-20 17:45:41 +02:00
parent 3a59557c91
commit ec8eb5a1bf
23 changed files with 91 additions and 121 deletions
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8
Code/Numerics/Alignment/testAlignment.cpp
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@@ -43,13 +43,13 @@ void testBasic() {
void testTraingle() {
// try 3 point two equilateral triangles of different edge lengths
RDGeom::Point3DConstPtrVect rpts;
RDGeom::Point3D rpt1(-cos(RDKit::PI/6), -sin(RDKit::PI/6), 0.0); rpts.push_back(&rpt1);
RDGeom::Point3D rpt2(cos(RDKit::PI/6), -sin(RDKit::PI/6), 0.0); rpts.push_back(&rpt2);
RDGeom::Point3D rpt1(-cos(M_PI/6), -sin(M_PI/6), 0.0); rpts.push_back(&rpt1);
RDGeom::Point3D rpt2(cos(M_PI/6), -sin(M_PI/6), 0.0); rpts.push_back(&rpt2);
RDGeom::Point3D rpt3(0.0, 1.0, 0.0); rpts.push_back(&rpt3);
RDGeom::Point3DConstPtrVect qpts;
RDGeom::Point3D qpt1(-2*sin(RDKit::PI/6) + 3.0, 2*cos(RDKit::PI/6), 4.0); qpts.push_back(&qpt1);
RDGeom::Point3D qpt2(-2*sin(RDKit::PI/6) + 3.0, -2*cos(RDKit::PI/6), 4.0); qpts.push_back(&qpt2);
RDGeom::Point3D qpt1(-2*sin(M_PI/6) + 3.0, 2*cos(M_PI/6), 4.0); qpts.push_back(&qpt1);
RDGeom::Point3D qpt2(-2*sin(M_PI/6) + 3.0, -2*cos(M_PI/6), 4.0); qpts.push_back(&qpt2);
RDGeom::Point3D qpt3(5.0, 0.0, 4.0); qpts.push_back(&qpt3);
RDGeom::Transform3D trans;