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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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16
Code/Geometry/testTransforms.cpp
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@@ -213,11 +213,10 @@ void test12D() {
}
void test23D() {
double PI = 3.1415926535897931;
Point3D pt(1.0, 0.0, 0.0);
Point3D tpt = pt;
Transform3D trans;
trans.SetRotation(PI/2., X_Axis);
trans.SetRotation(M_PI/2., X_Axis);
trans.TransformPoint(pt);
CHECK_INVARIANT(ptEq(tpt, pt), "");
@@ -233,7 +232,7 @@ void test23D() {
// rotate around y-axis
Transform3D transy;
transy.SetRotation(PI/2., Y_Axis);
transy.SetRotation(M_PI/2., Y_Axis);
transy.TransformPoint(pt);
Point3D tpt4(0.0, 0.0, -1.0);
CHECK_INVARIANT(ptEq(tpt4, pt), "");
@@ -250,7 +249,7 @@ void test23D() {
// z-axis
Transform3D transz;
transz.SetRotation(PI/2., Z_Axis);
transz.SetRotation(M_PI/2., Z_Axis);
Point3D pt7(1.0, 0.0, 0.0);
Point3D tpt7(0.0, 1.0, 0.0);
transz.TransformPoint(pt7);
@@ -269,7 +268,6 @@ void test23D() {
}
void test3MatMultiply() {
double PI = 3.1415926535897931;
// start with line on the axis starting at 1.0,
// transform it into a line on z-axis starting at 3.0
Point3D pt1(1.0, 0.0, 0.0);
@@ -289,7 +287,7 @@ void test3MatMultiply() {
// rotation around origin
Transform3D t2;
t2.SetRotation(-PI/2.0, Y_Axis);
t2.SetRotation(-M_PI/2.0, Y_Axis);
t2.TransformPoint(tp1);
t2.TransformPoint(tp2);
@@ -331,15 +329,15 @@ void test3MatMultiply() {
void testFromQuaternion() {
double qt[4];
qt[0] = cos(RDKit::PI/6);
qt[1] = -sin(RDKit::PI/6);
qt[0] = cos(M_PI/6);
qt[1] = -sin(M_PI/6);
qt[2] = 0.0;
qt[3] = 0.0;
Transform3D trans;
trans.SetRotationFromQuaternion(qt);
Transform3D ntrans;
ntrans.SetRotation(RDKit::PI/3, Point3D(1.0, 0.0, 0.0));
ntrans.SetRotation(M_PI/3, Point3D(1.0, 0.0, 0.0));
unsigned int i,j;
for (i = 0; i < 4; i++) {