pytessel 1.1.1__cp310-cp310-win_amd64.whl → 1.2.4__cp310-cp310-win_amd64.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
+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-1.2.4.dist-info/RECORD

@@ -0,0 +1,14 @@
+pytessel/__init__.py,sha256=n7uXMiIPBCWoCxVi2lWP47jsE7dr7w-ajKiVAv2BEvQ,69
+pytessel/_version.py,sha256=_Y5uxGUwMxg8VuksWkiGXU_QOTxRnVtkALvNtmszjOI,23
+pytessel/isosurface.cpp,sha256=1ovX4lar5bhCSMzmJ-nYWfOl3VlsZKxSdomj4dgM6fw,21225
+pytessel/isosurface.h,sha256=uSAhenb-IAsxbODv8nkWwbghO4j0rsQXuRO7KjpSoVU,5750
+pytessel/isosurface_mesh.cpp,sha256=8XuvSXCBAoIo_Cyje8GxeHbkNm7MKwc7JOMDgOFMscY,6531
+pytessel/isosurface_mesh.h,sha256=0_R98GiHaw14sh1Zae9AGgAk7lReM-sqlzTVQx8oDto,3562
+pytessel/pytessel.cp310-win_amd64.pyd,sha256=N2eNNc4s-3JuZhMS6mcKfBI3ohXdQKhccPRn8uWjFao,116736
+pytessel/scalar_field.cpp,sha256=Eo36rmC1JYnTDe4u59M07knUR4g0vvigtnlm9PWBNT8,9056
+pytessel/scalar_field.h,sha256=KgELLozQr5uyZUUB07hTp4xuH70IqmS3-yrI5mtEoQQ,3697
+pytessel-1.2.4.dist-info/LICENSE,sha256=N9LlpinTG3mzwIdqFGx9TB-NLPcCdt1PrC2Nar0_CzI,35795
+pytessel-1.2.4.dist-info/METADATA,sha256=x3RNFVsBlqZgdmNZvIZhNBgk9jnp0L9NonFxT-d30qY,5375
+pytessel-1.2.4.dist-info/WHEEL,sha256=H72wNgFePEN0L06A2Z11ydRFbMa6Lsr93VFntInNpxE,101
+pytessel-1.2.4.dist-info/top_level.txt,sha256=QDauMEeJ6MuBmtCTV4HZAr1XodXsUesXTlcImp5LE54,9
+pytessel-1.2.4.dist-info/RECORD,,

{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 (76.1.0)
 Root-Is-Purelib: false
 Tag: cp310-cp310-win_amd64
 

pytessel-1.1.1.dist-info/RECORD

@@ -1,14 +0,0 @@
-pytessel/__init__.py,sha256=n7uXMiIPBCWoCxVi2lWP47jsE7dr7w-ajKiVAv2BEvQ,69
-pytessel/_version.py,sha256=KGJQJ23MnEKMR2yQigWuN5Fj9B4JRjsenwhmGe0cwAA,23
-pytessel/isosurface.cpp,sha256=1ovX4lar5bhCSMzmJ-nYWfOl3VlsZKxSdomj4dgM6fw,21225
-pytessel/isosurface.h,sha256=uSAhenb-IAsxbODv8nkWwbghO4j0rsQXuRO7KjpSoVU,5750
-pytessel/isosurface_mesh.cpp,sha256=8XuvSXCBAoIo_Cyje8GxeHbkNm7MKwc7JOMDgOFMscY,6531
-pytessel/isosurface_mesh.h,sha256=0_R98GiHaw14sh1Zae9AGgAk7lReM-sqlzTVQx8oDto,3562
-pytessel/pytessel.cp310-win_amd64.pyd,sha256=wxPTi-1STv04fefXWrdOoRycfC2qfYDcz5yOuwyBwe4,99840
-pytessel/scalar_field.cpp,sha256=D6S1CPI731djHR_VT31KAbQYnFmQtA7ttTEPhAHKLQ4,8123
-pytessel/scalar_field.h,sha256=DNkThvBf26FR7eyildNQ-Szb4uZeKjLHRYktALOkFYI,3490
-pytessel-1.1.1.dist-info/LICENSE,sha256=N9LlpinTG3mzwIdqFGx9TB-NLPcCdt1PrC2Nar0_CzI,35795
-pytessel-1.1.1.dist-info/METADATA,sha256=TAJT5utB_UvJH1Mal4ObfxqLRMMvGBIfq1EOztXZn_c,5169
-pytessel-1.1.1.dist-info/WHEEL,sha256=5JPYeYl5ZdvdSkrGS4u21mmpPzpFx42qrXOSIgWf4pg,102
-pytessel-1.1.1.dist-info/top_level.txt,sha256=QDauMEeJ6MuBmtCTV4HZAr1XodXsUesXTlcImp5LE54,9
-pytessel-1.1.1.dist-info/RECORD,,