diff --git a/ippisite/ippidb/templates/compound_t_list.html b/ippisite/ippidb/templates/compound_t_list.html index b7d69a18d089cc0f2c5e8960068cd290576e3c9d..5b91101e2c0895ceaa2a540f8a61a38e6b01c987 100644 --- a/ippisite/ippidb/templates/compound_t_list.html +++ b/ippisite/ippidb/templates/compound_t_list.html @@ -24,6 +24,26 @@ <th scope="col">Available publications </th> {% endif %} + {% if "nb_acceptor_h" in fields %} + <th scope="col">Number of hydrogen bond acceptors + </th> + {% endif %} + {% if "nb_donor_h" in fields %} + <th scope="col">Number of hydrogen bond donors + </th> + {% endif %} + {% if "tpsa" in fields %} + <th scope="col">Topological Polar Surface Area (TPSA) + </th> + {% endif %} + {% if "nb_rotatable_bonds" in fields %} + <th scope="col">Number of rotatable bonds + </th> + {% endif %} + {% if "nb_aromatic_sssr" in fields %} + <th scope="col">Number of aromatic Smallest Set of System Rings (SSSR) + </th> + {% endif %} <button type="button" class="btn btn-primary float-right" style="width: inherit!important" data-toggle="modal" data-target="#selectColumns"> <i class="fa fa-columns" title="customize columns"></i> </button> @@ -54,6 +74,21 @@ {% if "biblio_refs" in fields %} <th scope="col">{{ compound.biblio_refs|length }}</th> {% endif %} + {% if "nb_acceptor_h" in fields %} + <th scope="col">{{ compound.nb_acceptor_h }}</th> + {% endif %} + {% if "nb_donor_h" in fields %} + <th scope="col">{{ compound.nb_donor_h }}</th> + {% endif %} + {% if "tpsa" in fields %} + <th scope="col">{{ compound.tpsa }}</th> + {% endif %} + {% if "nb_rotatable_bonds" in fields %} + <th scope="col">{{ compound.nb_rotatable_bonds }}</th> + {% endif %} + {% if "nb_aromatic_sssr" in fields %} + <th scope="col">{{ compound.nb_aromatic_sssr }}</th> + {% endif %} </tr> {% endfor %} </tbody> @@ -91,6 +126,21 @@ <div class="row"> <label><input type="checkbox" name="field" value="biblio_refs" class="mr-1" {% if 'biblio_refs' in fields %}checked="checked"{% endif %} />Available publications</label> </div> + <div class="row"> + <label><input type="checkbox" name="field" value="nb_acceptor_h" class="mr-1" {% if 'nb_acceptor_h' in fields %}checked="checked"{% endif %} />Number of hydrogen bond acceptors</label> + </div> + <div class="row"> + <label><input type="checkbox" name="field" value="nb_donor_h" class="mr-1" {% if 'nb_donor_h' in fields %}checked="checked"{% endif %} />Number of hydrogen bond donors</label> + </div> + <div class="row"> + <label><input type="checkbox" name="field" value="tpsa" class="mr-1" {% if 'tpsa' in fields %}checked="checked"{% endif %} />Topological Polar Surface Area (TPSA)</label> + </div> + <div class="row"> + <label><input type="checkbox" name="field" value="nb_rotatable_bonds" class="mr-1" {% if 'tpsa' in fields %}checked="checked"{% endif %} />Number of rotatable bonds</label> + </div> + <div class="row"> + <label><input type="checkbox" name="field" value="nb_aromatic_sssr" class="mr-1" {% if 'tpsa' in fields %}checked="checked"{% endif %} />Number of aromatic Smallest Set of System Rings (SSSR)</label> + </div> </div> <div class="modal-footer"> <script>