Update data structure

DataAnalyticsEngineering · Oct 2, 2024 · e8b4350 · e8b4350
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diff --git a/data/input_files/.gitignore b/data/input_files/.gitignore
diff --git a/data/results/mat_parameters1.pdf b/data/results/mat_parameters1.pdf
diff --git a/data/results/mat_parameters2.pdf b/data/results/mat_parameters2.pdf
diff --git a/data/results/sig0_parameter.pdf b/data/results/sig0_parameter.pdf
diff --git a/data/validation/.gitignore b/data/validation/.gitignore
diff --git a/data/vtk-notch/.gitignore b/data/vtk-notch/.gitignore
diff --git a/data/vtk/.gitignore b/data/vtk/.gitignore
diff --git a/data/vtk/postprocess_ntfa_293-800.py b/data/vtk/postprocess_ntfa_293-800.py
diff --git a/download_data.sh b/download_data.sh
@@ -0,0 +1,12 @@
+OPTIONS="-q --show-progress"
+DATASET=https://darus.uni-stuttgart.de/api/access/datafile/:persistentId\?persistentId\=doi:10.18419/darus-4509
+wget $OPTIONS $DATASET/1 -O results/NTFA293K_coarse_temp_293-800.h5
+wget $OPTIONS $DATASET/2 -O results/NTFA293K_fine_temp_293-800.h5
+wget $OPTIONS $DATASET/3 -O ntfa/ntfa_6loadings_10samples_N12.h5
+wget $OPTIONS $DATASET/4 -O ntfa/ntfa_6loadings_10samples_N18.h5
+wget $OPTIONS $DATASET/5 -O ntfa/ntfa_6loadings_10samples_N24.h5
+wget $OPTIONS $DATASET/7 -O results/reproduction_6loadings_100samples_N12.h5
+wget $OPTIONS $DATASET/8 -O results/reproduction_6loadings_100samples_N18.h5
+wget $OPTIONS $DATASET/9 -O results/reproduction_6loadings_100samples_N24.h5
+wget $OPTIONS $DATASET/10 -O rve/rve_thermoplastic_6loadings_10samples.h5
+wget $OPTIONS $DATASET/11 -O rve/twoscale_notch_rve.h5
diff --git a/examples/material_parameters.ipynb b/examples/material_parameters.ipynb
@@ -127,14 +127,6 @@
     "stiffness_cu = lambda x: bulk_modulus_cu(x) * IxI + 2.0 * shear_modulus_cu(x) * P2"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "438cfe95",
-   "metadata": {},
-   "outputs": [],
-   "source": []
-  },
   {
    "cell_type": "markdown",
    "id": "49cccd0a",
@@ -391,7 +383,7 @@
     "    gca1.legend(loc=\"upper left\", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor=\"black\")\n",
     "    gca2.legend(loc=\"center right\", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor=\"black\")\n",
     "    plt.tight_layout(pad=0.025)\n",
-    "    plt.savefig(os.path.join(data_path, \"results\", f\"{fig_name}.pdf\"))\n",
+    "    plt.savefig(os.path.join(data_path, \"figures\", f\"{fig_name}.pdf\"))\n",
     "    plt.show()"
    ]
   },
@@ -520,7 +512,7 @@
     "    gca1.grid(ls=\"--\", color=\"gray\", linewidth=0.5)\n",
     "    gca1.legend(loc=\"upper right\", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor=\"black\")\n",
     "    plt.tight_layout(pad=0.025)\n",
-    "    plt.savefig(os.path.join(data_path, \"results\", f\"{fig_name}.pdf\"))\n",
+    "    plt.savefig(os.path.join(data_path, \"figures\", f\"{fig_name}.pdf\"))\n",
     "    plt.show()"
    ]
   },

diff --git a/examples/material_parameters.py b/examples/material_parameters.py
@@ -73,8 +73,6 @@
 )
 stiffness_cu = lambda x: bulk_modulus_cu(x) * IxI + 2.0 * shear_modulus_cu(x) * P2
 
-# %%
-
 # %% [markdown]
 # ## Temperature-dependent material parameters of wsc/FTC phase (phase no. 1)
 
@@ -278,7 +276,7 @@
     gca1.legend(loc="upper left", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor="black")
     gca2.legend(loc="center right", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor="black")
     plt.tight_layout(pad=0.025)
-    plt.savefig(os.path.join(data_path, "results", f"{fig_name}.pdf"))
+    plt.savefig(os.path.join(data_path, "figures", f"{fig_name}.pdf"))
     plt.show()
 
 # %% [markdown]
@@ -372,7 +370,7 @@ def my_sig_y(
     gca1.grid(ls="--", color="gray", linewidth=0.5)
     gca1.legend(loc="upper right", facecolor=(0.9, 0.9, 0.9, 0.6), edgecolor="black")
     plt.tight_layout(pad=0.025)
-    plt.savefig(os.path.join(data_path, "results", f"{fig_name}.pdf"))
+    plt.savefig(os.path.join(data_path, "figures", f"{fig_name}.pdf"))
     plt.show()
 
 # %%
diff --git a/examples/reproduce_article.ipynb b/examples/reproduce_article.ipynb
@@ -170,26 +170,14 @@
    "id": "2fa3edb7-cffc-4c02-8f7b-5c0cc8241a05",
    "metadata": {},
    "source": [
-    "## Mode study\n",
-    "\n",
     "## Training reproduction tests\n",
     "\n",
-    "## Analysis of the training directions of the temperature range\n",
+    "Analysis of the training directions of the temperature range\n",
     "\n",
     "### Load data from hdf5 files\n",
     "- compare efficiency of the interpolation over the temperature\n",
     "- show select stress-strain curves\n",
-    "- results are generated based on `generate_inputs.py` and external C/C++ UMAT\n",
-    "\n",
-    "### Analysis of the training directions of the temperature range\n",
-    "\n",
-    "First figure: comparison of $\\theta$-NTFA and FEM for training scenarios\n",
-    "\n",
-    "loadcases: 0, 2, 5\n",
-    "\n",
-    "temperatures: 0, 3, 9  (0, 33, -1)\n",
-    "\n",
-    "N_modes: 12, 18, 24"
+    "- results are generated based on `generate_inputs.py` and external C/C++ UMAT"
    ]
   },
   {
@@ -270,6 +258,16 @@
    "id": "8221681f-2959-46eb-97a3-a1b6e72c5dc6",
    "metadata": {},
    "source": [
+    "### Analysis of the training directions of the temperature range\n",
+    "\n",
+    "First figure: comparison of $\\theta$-NTFA and FEM for training scenarios\n",
+    "\n",
+    "loadcases: 0, 2, 5\n",
+    "\n",
+    "temperatures: 0, 3, 9  (0, 33, -1)\n",
+    "\n",
+    "N_modes: 12, 18, 24\n",
+    "\n",
     "### Relative error in sig_bar for 300K, 633.3K and 1300 K"
    ]
   },

diff --git a/examples/reproduce_article.py b/examples/reproduce_article.py
@@ -152,26 +152,14 @@ def rel_error(A, A_ref, r_min=None):
     A.dim = A.data.shape
 
 # %% [markdown]
-# ## Mode study
-#
 # ## Training reproduction tests
 #
-# ## Analysis of the training directions of the temperature range
+# Analysis of the training directions of the temperature range
 #
 # ### Load data from hdf5 files
 # - compare efficiency of the interpolation over the temperature
 # - show select stress-strain curves
 # - results are generated based on `generate_inputs.py` and external C/C++ UMAT
-#
-# ### Analysis of the training directions of the temperature range
-#
-# First figure: comparison of $\theta$-NTFA and FEM for training scenarios
-#
-# loadcases: 0, 2, 5
-#
-# temperatures: 0, 3, 9  (0, 33, -1)
-#
-# N_modes: 12, 18, 24
 
 # %%
 data_sig_ntfa = np.zeros((3, 3, 3, 11, 6))
@@ -227,6 +215,16 @@ def rel_error(A, A_ref, r_min=None):
     data_sig_fans[2, 2, i, :, :] = fans_sig[-1, 5, :, :]
 
 # %% [markdown]
+# ### Analysis of the training directions of the temperature range
+#
+# First figure: comparison of $\theta$-NTFA and FEM for training scenarios
+#
+# loadcases: 0, 2, 5
+#
+# temperatures: 0, 3, 9  (0, 33, -1)
+#
+# N_modes: 12, 18, 24
+#
 # ### Relative error in sig_bar for 300K, 633.3K and 1300 K
 
 # %%

diff --git a/pyproject.toml b/pyproject.toml
@@ -4,8 +4,8 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "thermontfa"
-version = "0.0.1"
-description = ""
+version = "0.1.0"
+description = "This repository contains a material routine written in Python for the thermo-elasto-plastic Nonuniform Transformation Field Analysis (ThermoNTFA)"
 authors = [
     {name="Felix Fritzen", email="[email protected]"},
     {name="Julius Herb", email="[email protected]"},