[geometry] fix compatibility with old visual studio for Python 2.7

Also re-enable Py27 in Appveyors build matrix.
xianqiangsun · Feb 10, 2017 · 0fc8dec · 0fc8dec
1 parent df889d3
commit 0fc8dec
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Showing 4 changed files with 21 additions and 10 deletions.
diff --git a/appveyor.yml b/appveyor.yml
@@ -10,7 +10,13 @@ environment:
     - PYTHON: "C:\\Miniconda3"
       CONDA_PY: "35"
       CONDA_NPY: "1.10"
-
+    - PYTHON: "C:\\Miniconda3"
+      CONDA_PY: "27"
+      CONDA_NPY: "1.10"
+    - PYTHON: "C:\\Miniconda3-x64"
+      CONDA_PY: "27"
+      CONDA_NPY: "1.10"
+      ARCH: "64"
     - PYTHON: "C:\\Miniconda3-x64"
       CONDA_PY: "35"
       CONDA_NPY: "1.10"

diff --git a/mdtraj/geometry/include/math_patch.h b/mdtraj/geometry/include/math_patch.h
@@ -1,11 +1,14 @@
 // Math functions for old versions of visual studio
-
+#ifndef __MATH_PATH_H_
+#define __MATH_PATH_H_
 #ifdef _MSC_VER
 #if _MSC_VER < 1900 // prior to vs2015
-float roundf(float x) {
+#pragma once
+inline float roundf(float x) {
    return x >= 0.0f ? floorf(x + 0.5f) : ceilf(x - 0.5f);
 }
-double cbrt(double x) {
+
+inline double cbrt(double x) {
     if (x<0)
         return -1.0 * pow(-1.0 * x, 1.0/3.0);
     else
@@ -17,4 +20,7 @@ double cbrt(double x) {
 #define isnan(x) ((x)!=(x))
 #endif // isnan
 
+#else // use C99 compliant header.
+#include <math.h>
 #endif // _MSC_VER
+#endif // __MATH_PATH_H_
diff --git a/mdtraj/geometry/src/_geometry.pyx b/mdtraj/geometry/src/_geometry.pyx
@@ -23,9 +23,6 @@
 ##############################################################################
 
 import sys
-import warnings
-import cython
-import numpy as np
 
 ##############################################################################
 # Headers
@@ -74,8 +71,6 @@ cdef extern from "geometry.h" nogil:
     void find_closest_contact(const float* positions, const int* group1, const int* group2,
                               int n_group1, int n_group2, const float* box_vectors_pointer,
                               int* atom1, int* atom2, float* distance)
-    float roundf(float x)
-    float floorf(float x)
 
 cdef extern from "sasa.h":
     void sasa(const int n_frames, const int n_atoms, const float* xyzlist,
@@ -239,4 +234,4 @@ def _find_closest_contact(float[:, ::1] positions,
     find_closest_contact(&positions[0,0], &group1[0], &group2[0], len(group1), len(group2), box_vectors_pointer, &atom1, &atom2, &distance)
     return (atom1, atom2, distance)
 
-include "image_molecules.pxi"
+include "image_molecules.pxi"
diff --git a/mdtraj/geometry/src/image_molecules.pxi b/mdtraj/geometry/src/image_molecules.pxi
@@ -7,6 +7,10 @@ from libcpp.vector cimport vector
 
 ctypedef np.npy_intp intp
 
+cdef extern from "math_patch.h" nogil:
+    float roundf(float x)
+    float floorf(float x)
+
 cdef void make_whole(float[:,::1] frame_positions,
                 float[:,::1] frame_unitcell_vectors,
                 intp[:,:] sorted_bonds) nogil: