pytessel 1.1.1__tar.gz → 1.2.4__tar.gz

{pytessel-1.1.1/pytessel.egg-info → pytessel-1.2.4}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.2
 Name: pytessel
-Version: 1.1.1
+Version: 1.2.4
 Summary: Python package for building isosurfaces from 3D scalar fields
 Home-page: https://github.com/ifilot/pytessel
 Author: Ivo Filot
@@ -12,6 +12,15 @@ Requires-Python: >=3.5
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: numpy
+Dynamic: author
+Dynamic: author-email
+Dynamic: classifier
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: home-page
+Dynamic: requires-dist
+Dynamic: requires-python
+Dynamic: summary
 
 # PyTessel
 

{pytessel-1.1.1 → pytessel-1.2.4}/pyproject.toml

@@ -8,8 +8,8 @@ requires = [
 build-backend = "setuptools.build_meta"
 
 [tool.cibuildwheel]
-test-requires = "pytest"
+test-requires = "pytest numpy cython"
 test-command = "pytest {project}/tests"
 
 # skip PyPy wheels
-skip = ["pp*"]
+skip = ["pp*", "cp36-*"]

pytessel-1.2.4/pytessel/_version.py

@@ -0,0 +1 @@
+__version__ = "1.2.4"

{pytessel-1.1.1 → pytessel-1.2.4}/pytessel/scalar_field.cpp

@@ -60,6 +60,11 @@ float ScalarField::get_value_interp(float x, float y, float z) const {
     // cast the input to the nearest grid point
     Vec3 r = this->realspace_to_grid(x,y,z);
 
+    // recast
+    if(r.x < 0.0) r.x += (float)this->grid_dimensions[0];
+    if(r.y < 0.0) r.y += (float)this->grid_dimensions[1];
+    if(r.z < 0.0) r.z += (float)this->grid_dimensions[2];
+
     // calculate value using trilinear interpolation
     float xd = remainderf(r.x, 1.0);
     float yd = remainderf(r.y, 1.0);
@@ -69,12 +74,12 @@ float ScalarField::get_value_interp(float x, float y, float z) const {
     if(yd < 0) yd += 1.0;
     if(zd < 0) zd += 1.0;
 
-    float x0 = floor(r.x);
-    float x1 = ceil(r.x);
-    float y0 = floor(r.y);
-    float y1 = ceil(r.y);
-    float z0 = floor(r.z);
-    float z1 = ceil(r.z);
+    float x0 = fmod(floor(r.x), this->grid_dimensions[0]);
+    float x1 = fmod(ceil(r.x), this->grid_dimensions[0]);
+    float y0 = fmod(floor(r.y), this->grid_dimensions[1]);
+    float y1 = fmod(ceil(r.y), this->grid_dimensions[1]);
+    float z0 = fmod(floor(r.z), this->grid_dimensions[2]);
+    float z1 = fmod(ceil(r.z), this->grid_dimensions[2]);
 
     return
     this->get_value(x0, y0, z0) * (1.0 - xd) * (1.0 - yd) * (1.0 - zd) +
@@ -169,9 +174,9 @@ Vec3 ScalarField::realspace_to_direct(float x, float y, float z) const {
 Vec3 ScalarField::realspace_to_grid(float i, float j, float k) const {
     Vec3 g = this->realspace_to_direct(i, j, k);
 
-    g.x *= float(this->grid_dimensions[0]-1);
-    g.y *= float(this->grid_dimensions[1]-1);
-    g.z *= float(this->grid_dimensions[2]-1);
+    g.x *= float(this->grid_dimensions[0]);
+    g.y *= float(this->grid_dimensions[1]);
+    g.z *= float(this->grid_dimensions[2]);
 
     return g;
 }
@@ -208,3 +213,27 @@ void ScalarField::inverse(const mat33& mat, mat33* invmat) {
     (*invmat)[2][1] = (mat[2][0] * mat[0][1] - mat[0][0] * mat[2][1]) * invdet;
     (*invmat)[2][2] = (mat[0][0] * mat[1][1] - mat[1][0] * mat[0][1]) * invdet;
 }
+
+std::vector<float> ScalarField::get_unitcell_vf() const {
+    std::vector<float> ans(9,0.0);
+
+    for(unsigned int i=0; i<3; i++) {
+        for(unsigned int j=0; j<3; j++) {
+            ans[i*3 + j] = this->unitcell[i][j];
+        }
+    }
+
+    return ans;
+}
+
+std::vector<float> ScalarField::get_unitcell_inverse() const {
+    std::vector<float> ans(9,0.0);
+
+    for(unsigned int i=0; i<3; i++) {
+        for(unsigned int j=0; j<3; j++) {
+            ans[i*3 + j] = this->unitcell_inverse[i][j];
+        }
+    }
+
+    return ans;
+}

{pytessel-1.1.1 → pytessel-1.2.4}/pytessel/scalar_field.h

@@ -92,5 +92,13 @@ public:
         return this->unitcell;
     }
 
+    inline const mat33& get_mat_inverse() const {
+        return this->unitcell_inverse;
+    }
+
+    std::vector<float> get_unitcell_vf() const;
+
+    std::vector<float> get_unitcell_inverse() const;
+
 private:
 };

{pytessel-1.1.1 → pytessel-1.2.4/pytessel.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.2
 Name: pytessel
-Version: 1.1.1
+Version: 1.2.4
 Summary: Python package for building isosurfaces from 3D scalar fields
 Home-page: https://github.com/ifilot/pytessel
 Author: Ivo Filot
@@ -12,6 +12,15 @@ Requires-Python: >=3.5
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: numpy
+Dynamic: author
+Dynamic: author-email
+Dynamic: classifier
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: home-page
+Dynamic: requires-dist
+Dynamic: requires-python
+Dynamic: summary
 
 # PyTessel
 

{pytessel-1.1.1 → pytessel-1.2.4}/setup.py

@@ -1,8 +1,24 @@
-import subprocess
 from setuptools import Extension, setup
 from Cython.Build import cythonize
 import os
 import sys
+import re
+
+PKG = "pytessel"
+VERSIONFILE = os.path.join(os.path.dirname(__file__), PKG, "_version.py")
+verstr = "unknown"
+try:
+    verstrline = open(VERSIONFILE, "rt").read()
+except EnvironmentError:
+    pass # Okay, there is no version file.
+else:
+    VSRE = r"^__version__ = ['\"]([^'\"]*)['\"]"
+    mo = re.search(VSRE, verstrline, re.M)
+    if mo:
+        verstr = mo.group(1)
+    else:
+        print(r"Unable to find version in %s" % (VERSIONFILE,))
+        raise RuntimeError(r"If %s.py exists, it is required to be well-formed" % (VERSIONFILE,))
 
 def find_windows_versions():
     """
@@ -59,14 +75,12 @@ if os.name == 'nt':
         os.environ['PATH'] = ";".join(newpaths)
 
 if os.name == 'posix' and sys.platform != 'darwin':
-    os.environ['CFLAGS'] = '-I/usr/include/glm'
     extra_compile_args = ["-Wno-date-time", "-fopenmp", "-fPIC"]
     extra_link_args = ["-fopenmp"]
 elif os.name == 'nt':
     extra_compile_args = ["/wd4244"]
     extra_link_args = []
 elif sys.platform == 'darwin':
-    os.environ['CFLAGS'] = '-I/usr/local/Cellar/boost/1.81.0_1/include -I /usr/local/Cellar/glm/0.9.9.8/include'
     extra_compile_args = ["-Wno-date-time", "-fPIC", "-std=c++14"]
     extra_link_args = []
 
@@ -83,8 +97,8 @@ with open("README.md", "r", encoding="utf-8") as fh:
     long_description = fh.read()
 
 setup(
-    name='pytessel',
-    version="1.1.1",
+    name=PKG,
+    version=verstr,
     author="Ivo Filot",
     author_email="ivo@ivofilot.nl",
     description="Python package for building isosurfaces from 3D scalar fields",
@@ -94,7 +108,7 @@ setup(
     ext_modules=cythonize(ext_modules[0],
                           language_level = "3",
                           build_dir="build"),
-    packages=['pytessel'],
+    packages=[PKG],
     include_package_data=True,
     classifiers=[
         "Programming Language :: Python :: 3",

pytessel-1.1.1/pytessel/_version.py

@@ -1 +0,0 @@
-__version__ = "1.1.1"