Skip to content

Commit

Permalink
In process to fix the documentation of user/tools/basic/selection
Browse files Browse the repository at this point in the history
  • Loading branch information
@dprada
dprada committed May 17, 2024
1 parent b50e7b3 commit fd01552
Show file tree
Hide file tree
Showing 6 changed files with 201 additions and 4,681 deletions.
84 changes: 42 additions & 42 deletions docs/contents/user/tools/basic/add.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -51,7 +51,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "baf4b256100046659e91d4b1486bb726",
"model_id": "93e79f3dca404cb28fb7196e33d8284f",
"version_major": 2,
"version_minor": 0
},
Expand Down Expand Up @@ -110,37 +110,37 @@
"text/html": [
"<style type=\"text/css\">\n",
"</style>\n",
"<table id=\"T_90ddc\">\n",
"<table id=\"T_3e837\">\n",
" <thead>\n",
" <tr>\n",
" <th id=\"T_90ddc_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_90ddc_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_90ddc_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_90ddc_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_90ddc_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_90ddc_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_90ddc_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_90ddc_level0_col7\" class=\"col_heading level0 col7\" >n_peptides</th>\n",
" <th id=\"T_90ddc_level0_col8\" class=\"col_heading level0 col8\" >n_structures</th>\n",
" <th id=\"T_3e837_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_3e837_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_3e837_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_3e837_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_3e837_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_3e837_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_3e837_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_3e837_level0_col7\" class=\"col_heading level0 col7\" >n_peptides</th>\n",
" <th id=\"T_3e837_level0_col8\" class=\"col_heading level0 col8\" >n_structures</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <td id=\"T_90ddc_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_90ddc_row0_col1\" class=\"data row0 col1\" >26</td>\n",
" <td id=\"T_90ddc_row0_col2\" class=\"data row0 col2\" >3</td>\n",
" <td id=\"T_90ddc_row0_col3\" class=\"data row0 col3\" >1</td>\n",
" <td id=\"T_90ddc_row0_col4\" class=\"data row0 col4\" >1</td>\n",
" <td id=\"T_90ddc_row0_col5\" class=\"data row0 col5\" >1</td>\n",
" <td id=\"T_90ddc_row0_col6\" class=\"data row0 col6\" >1</td>\n",
" <td id=\"T_90ddc_row0_col7\" class=\"data row0 col7\" >1</td>\n",
" <td id=\"T_90ddc_row0_col8\" class=\"data row0 col8\" >1</td>\n",
" <td id=\"T_3e837_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_3e837_row0_col1\" class=\"data row0 col1\" >26</td>\n",
" <td id=\"T_3e837_row0_col2\" class=\"data row0 col2\" >3</td>\n",
" <td id=\"T_3e837_row0_col3\" class=\"data row0 col3\" >1</td>\n",
" <td id=\"T_3e837_row0_col4\" class=\"data row0 col4\" >1</td>\n",
" <td id=\"T_3e837_row0_col5\" class=\"data row0 col5\" >1</td>\n",
" <td id=\"T_3e837_row0_col6\" class=\"data row0 col6\" >1</td>\n",
" <td id=\"T_3e837_row0_col7\" class=\"data row0 col7\" >1</td>\n",
" <td id=\"T_3e837_row0_col8\" class=\"data row0 col8\" >1</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n"
],
"text/plain": [
"<pandas.io.formats.style.Styler at 0x7f9b2b499d50>"
"<pandas.io.formats.style.Styler at 0x7f39a7947e20>"
]
},
"execution_count": 5,
Expand Down Expand Up @@ -197,37 +197,37 @@
"text/html": [
"<style type=\"text/css\">\n",
"</style>\n",
"<table id=\"T_eaba5\">\n",
"<table id=\"T_e8372\">\n",
" <thead>\n",
" <tr>\n",
" <th id=\"T_eaba5_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_eaba5_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_eaba5_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_eaba5_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_eaba5_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_eaba5_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_eaba5_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_eaba5_level0_col7\" class=\"col_heading level0 col7\" >n_peptides</th>\n",
" <th id=\"T_eaba5_level0_col8\" class=\"col_heading level0 col8\" >n_structures</th>\n",
" <th id=\"T_e8372_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_e8372_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_e8372_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_e8372_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_e8372_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_e8372_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_e8372_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_e8372_level0_col7\" class=\"col_heading level0 col7\" >n_peptides</th>\n",
" <th id=\"T_e8372_level0_col8\" class=\"col_heading level0 col8\" >n_structures</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <td id=\"T_eaba5_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_eaba5_row0_col1\" class=\"data row0 col1\" >88</td>\n",
" <td id=\"T_eaba5_row0_col2\" class=\"data row0 col2\" >9</td>\n",
" <td id=\"T_eaba5_row0_col3\" class=\"data row0 col3\" >3</td>\n",
" <td id=\"T_eaba5_row0_col4\" class=\"data row0 col4\" >3</td>\n",
" <td id=\"T_eaba5_row0_col5\" class=\"data row0 col5\" >3</td>\n",
" <td id=\"T_eaba5_row0_col6\" class=\"data row0 col6\" >3</td>\n",
" <td id=\"T_eaba5_row0_col7\" class=\"data row0 col7\" >3</td>\n",
" <td id=\"T_eaba5_row0_col8\" class=\"data row0 col8\" >1</td>\n",
" <td id=\"T_e8372_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_e8372_row0_col1\" class=\"data row0 col1\" >88</td>\n",
" <td id=\"T_e8372_row0_col2\" class=\"data row0 col2\" >9</td>\n",
" <td id=\"T_e8372_row0_col3\" class=\"data row0 col3\" >3</td>\n",
" <td id=\"T_e8372_row0_col4\" class=\"data row0 col4\" >3</td>\n",
" <td id=\"T_e8372_row0_col5\" class=\"data row0 col5\" >3</td>\n",
" <td id=\"T_e8372_row0_col6\" class=\"data row0 col6\" >3</td>\n",
" <td id=\"T_e8372_row0_col7\" class=\"data row0 col7\" >3</td>\n",
" <td id=\"T_e8372_row0_col8\" class=\"data row0 col8\" >1</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n"
],
"text/plain": [
"<pandas.io.formats.style.Styler at 0x7f9b2af47940>"
"<pandas.io.formats.style.Styler at 0x7f3924197b50>"
]
},
"execution_count": 7,
Expand Down Expand Up @@ -265,7 +265,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "11f4a8b657ad49f0ac87d01d4e9803dc",
"model_id": "af7ce781ea86498791a623cc97f5311d",
"version_major": 2,
"version_minor": 0
},
Expand Down
62 changes: 31 additions & 31 deletions docs/contents/user/tools/basic/get.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "1309a7c26df6419184a0bd625d446b63",
"model_id": "272b236d462449699d2381bf42333d3f",
"version_major": 2,
"version_minor": 0
},
Expand Down Expand Up @@ -93,39 +93,39 @@
"text/html": [
"<style type=\"text/css\">\n",
"</style>\n",
"<table id=\"T_2ebf0\">\n",
"<table id=\"T_b794f\">\n",
" <thead>\n",
" <tr>\n",
" <th id=\"T_2ebf0_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_2ebf0_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_2ebf0_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_2ebf0_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_2ebf0_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_2ebf0_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_2ebf0_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_2ebf0_level0_col7\" class=\"col_heading level0 col7\" >n_waters</th>\n",
" <th id=\"T_2ebf0_level0_col8\" class=\"col_heading level0 col8\" >n_proteins</th>\n",
" <th id=\"T_2ebf0_level0_col9\" class=\"col_heading level0 col9\" >n_structures</th>\n",
" <th id=\"T_b794f_level0_col0\" class=\"col_heading level0 col0\" >form</th>\n",
" <th id=\"T_b794f_level0_col1\" class=\"col_heading level0 col1\" >n_atoms</th>\n",
" <th id=\"T_b794f_level0_col2\" class=\"col_heading level0 col2\" >n_groups</th>\n",
" <th id=\"T_b794f_level0_col3\" class=\"col_heading level0 col3\" >n_components</th>\n",
" <th id=\"T_b794f_level0_col4\" class=\"col_heading level0 col4\" >n_chains</th>\n",
" <th id=\"T_b794f_level0_col5\" class=\"col_heading level0 col5\" >n_molecules</th>\n",
" <th id=\"T_b794f_level0_col6\" class=\"col_heading level0 col6\" >n_entities</th>\n",
" <th id=\"T_b794f_level0_col7\" class=\"col_heading level0 col7\" >n_waters</th>\n",
" <th id=\"T_b794f_level0_col8\" class=\"col_heading level0 col8\" >n_proteins</th>\n",
" <th id=\"T_b794f_level0_col9\" class=\"col_heading level0 col9\" >n_structures</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <td id=\"T_2ebf0_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_2ebf0_row0_col1\" class=\"data row0 col1\" >3983</td>\n",
" <td id=\"T_2ebf0_row0_col2\" class=\"data row0 col2\" >662</td>\n",
" <td id=\"T_2ebf0_row0_col3\" class=\"data row0 col3\" >167</td>\n",
" <td id=\"T_2ebf0_row0_col4\" class=\"data row0 col4\" >4</td>\n",
" <td id=\"T_2ebf0_row0_col5\" class=\"data row0 col5\" >167</td>\n",
" <td id=\"T_2ebf0_row0_col6\" class=\"data row0 col6\" >2</td>\n",
" <td id=\"T_2ebf0_row0_col7\" class=\"data row0 col7\" >165</td>\n",
" <td id=\"T_2ebf0_row0_col8\" class=\"data row0 col8\" >2</td>\n",
" <td id=\"T_2ebf0_row0_col9\" class=\"data row0 col9\" >1</td>\n",
" <td id=\"T_b794f_row0_col0\" class=\"data row0 col0\" >molsysmt.MolSys</td>\n",
" <td id=\"T_b794f_row0_col1\" class=\"data row0 col1\" >3983</td>\n",
" <td id=\"T_b794f_row0_col2\" class=\"data row0 col2\" >662</td>\n",
" <td id=\"T_b794f_row0_col3\" class=\"data row0 col3\" >167</td>\n",
" <td id=\"T_b794f_row0_col4\" class=\"data row0 col4\" >4</td>\n",
" <td id=\"T_b794f_row0_col5\" class=\"data row0 col5\" >167</td>\n",
" <td id=\"T_b794f_row0_col6\" class=\"data row0 col6\" >2</td>\n",
" <td id=\"T_b794f_row0_col7\" class=\"data row0 col7\" >165</td>\n",
" <td id=\"T_b794f_row0_col8\" class=\"data row0 col8\" >2</td>\n",
" <td id=\"T_b794f_row0_col9\" class=\"data row0 col9\" >1</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n"
],
"text/plain": [
"<pandas.io.formats.style.Styler at 0x7f6ad8426b30>"
"<pandas.io.formats.style.Styler at 0x7fac5a2a7f10>"
]
},
"execution_count": 4,
Expand Down Expand Up @@ -6086,17 +6086,17 @@
{
"data": {
"text/html": [
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[[[4.3709999 0.0 0.0]<br> [0.0 7.765000199999999 0.0]<br> [0.0 0.0 14.9539993]]]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer</td></tr></tbody></table>"
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[[[4.3709999999999996 0.0 0.0]<br> [0.0 7.765 0.0]<br> [0.0 0.0 14.953999999999997]]]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer</td></tr></tbody></table>"
],
"text/latex": [
"$arr[,0,:,:] = \\begin{pmatrix} & & \\\\ \n",
" & & \\\\ \n",
" & & \\end{pmatrix}\\ \\mathrm{nanometer}$"
],
"text/plain": [
"array([[[ 4.3709999, 0. , 0. ],\n",
" [ 0. , 7.7650002, 0. ],\n",
" [ 0. , 0. , 14.9539993]]]) <Unit('nanometer')>"
"array([[[ 4.371, 0. , 0. ],\n",
" [ 0. , 7.765, 0. ],\n",
" [ 0. , 0. , 14.954]]]) <Unit('nanometer')>"
]
},
"execution_count": 53,
Expand Down Expand Up @@ -6126,13 +6126,13 @@
{
"data": {
"text/html": [
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[[4.371 7.765 14.953999]]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer</td></tr></tbody></table>"
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[[4.371 7.765 14.954]]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer</td></tr></tbody></table>"
],
"text/latex": [
"$\\begin{pmatrix} & & \\end{pmatrix}\\ \\mathrm{nanometer}$"
],
"text/plain": [
"array([[ 4.371 , 7.765 , 14.953999]]) <Unit('nanometer')>"
"array([[ 4.371, 7.765, 14.954]]) <Unit('nanometer')>"
]
},
"execution_count": 55,
Expand Down Expand Up @@ -6178,13 +6178,13 @@
{
"data": {
"text/html": [
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[507.5509252124347]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer<sup>3</sup></td></tr></tbody></table>"
"<table><tbody><tr><th>Magnitude</th><td style='text-align:left;'><pre>[507.55094750999984]</pre></td></tr><tr><th>Units</th><td style='text-align:left;'>nanometer<sup>3</sup></td></tr></tbody></table>"
],
"text/latex": [
"$\\begin{pmatrix}\\end{pmatrix}\\ \\mathrm{nanometer}^{3}$"
],
"text/plain": [
"array([507.55092521]) <Unit('nanometer ** 3')>"
"array([507.55094751]) <Unit('nanometer ** 3')>"
]
},
"execution_count": 57,
Expand Down
Loading

0 comments on commit fd01552

Please sign in to comment.