pytessel 1.1.1__cp38-cp38-musllinux_1_1_i686.whl → 1.2.4__cp38-cp38-musllinux_1_1_i686.whl

pytessel/_version.py

@@ -1 +1 @@
-__version__ = "1.1.1"
+__version__ = "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/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.dist-info → pytessel-1.2.4.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 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

{pytessel-1.1.1.dist-info → pytessel-1.2.4.dist-info}/RECORD

@@ -1,17 +1,17 @@
-pytessel/pytessel.cpython-38-i386-linux-gnu.so,sha256=-1ntxB6uk5Z3R05XJwGlQZwjRGrZnAlgd1iR1iMHQrE,1492461
-pytessel/_version.py,sha256=q8_5C0f-8mHWNb6mMw02zlYPnEGXBqvOmP3z0CEwZKM,22
-pytessel/__init__.py,sha256=vro51HMaT-ePmW0CgIsDkOgTzutYGB2UgmyV7elT09A,66
-pytessel/isosurface.cpp,sha256=Q4a3lqrgnWGfwyZEdUnC6uSCQ46izSO-8SMWrcGTqWg,20664
-pytessel/isosurface_mesh.h,sha256=5n0TJDDlQBcJu9SOxTmW21_g8YEP5Jq9GVrVwMh7IH0,3458
-pytessel/isosurface.h,sha256=dpenMn9T2KuiYw112HuEdIkuh7fqp12FaVJE-00vMsY,5570
-pytessel/isosurface_mesh.cpp,sha256=zoahovBodabqx2zfHkW5xIGBvU84n15tUlsy0yyexp8,6387
-pytessel/scalar_field.cpp,sha256=W5VNLGpK7PYSDUEWqf3tDtIEZnPML5v7ygkiyxUE38c,7913
-pytessel/scalar_field.h,sha256=dgkcMtIQzEITCx8QcqcHCbkCNu_KbAWuoJ0zcY1k_zs,3394
-pytessel-1.1.1.dist-info/LICENSE,sha256=4cCtcomD2KVzNeUs8QZPGv_R1FQXPYzr0-2LSnK0hwQ,35121
-pytessel-1.1.1.dist-info/METADATA,sha256=4k4IJyrsDvo_5lY6yrhE2tVE7TeHL4P-TD9CngNsrNA,5009
-pytessel-1.1.1.dist-info/RECORD,,
-pytessel-1.1.1.dist-info/top_level.txt,sha256=QDauMEeJ6MuBmtCTV4HZAr1XodXsUesXTlcImp5LE54,9
-pytessel-1.1.1.dist-info/WHEEL,sha256=A6_DtUiDgMgD1W-StqbuJJbxCfEJTq71CSHdtaevATE,109
-pytessel.libs/libstdc++-8baf04f9.so.6.0.28,sha256=yrzOxg1heyJ9Y-43YCLLn04Cpl_A68FN0D2Q1iBTMcY,2428961
 pytessel.libs/libgcc_s-8b50eaaa.so.1,sha256=WXj_FYQE1MDIyb-nN8siUALdxit6NHma0p9UxemQV8o,101649
 pytessel.libs/libgomp-41890ef0.so.1.0.0,sha256=jd7-sH43bW1ihDQz3ii-r6QHE1xQftc6Rgs89QCHj7k,195209
+pytessel.libs/libstdc++-8baf04f9.so.6.0.28,sha256=yrzOxg1heyJ9Y-43YCLLn04Cpl_A68FN0D2Q1iBTMcY,2428961
+pytessel/scalar_field.cpp,sha256=Ey1LxTnU_Ul40eIZvZZWgTnhJ8P-dP3aK16nEiOEOsk,8818
+pytessel/_version.py,sha256=XBKH8E1LmDxv06U39yqMBbXZapOERFgICEDYZs_kRso,22
+pytessel/isosurface_mesh.h,sha256=5n0TJDDlQBcJu9SOxTmW21_g8YEP5Jq9GVrVwMh7IH0,3458
+pytessel/isosurface_mesh.cpp,sha256=zoahovBodabqx2zfHkW5xIGBvU84n15tUlsy0yyexp8,6387
+pytessel/isosurface.h,sha256=dpenMn9T2KuiYw112HuEdIkuh7fqp12FaVJE-00vMsY,5570
+pytessel/pytessel.cpython-38-i386-linux-gnu.so,sha256=32OqamQ9iI63nXAq2SlwRdjEZfGxeZKErVGwYpDE3rk,1517181
+pytessel/isosurface.cpp,sha256=Q4a3lqrgnWGfwyZEdUnC6uSCQ46izSO-8SMWrcGTqWg,20664
+pytessel/scalar_field.h,sha256=sfGoX7VtbA6V99dMqLDpYq79xCFFJAKXL1UXd5QBxWs,3593
+pytessel/__init__.py,sha256=vro51HMaT-ePmW0CgIsDkOgTzutYGB2UgmyV7elT09A,66
+pytessel-1.2.4.dist-info/LICENSE,sha256=4cCtcomD2KVzNeUs8QZPGv_R1FQXPYzr0-2LSnK0hwQ,35121
+pytessel-1.2.4.dist-info/WHEEL,sha256=x3J_FeIp2R0uC39FfyS8XQQxIg2ybNpnezPp89yL-20,108
+pytessel-1.2.4.dist-info/RECORD,,
+pytessel-1.2.4.dist-info/top_level.txt,sha256=QDauMEeJ6MuBmtCTV4HZAr1XodXsUesXTlcImp5LE54,9
+pytessel-1.2.4.dist-info/METADATA,sha256=Td_69V4krFF8epMbV-l6PAiTlxyaLvvi-_ev5Iy3iaU,5009

{pytessel-1.1.1.dist-info → pytessel-1.2.4.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: bdist_wheel (0.42.0)
+Generator: setuptools (75.3.2)
 Root-Is-Purelib: false
 Tag: cp38-cp38-musllinux_1_1_i686