Commit f9b2c669 authored by Hervé  MENAGER's avatar Hervé MENAGER
Browse files

add external links in a new "compound tab" for the compound card

fix #98

Former-commit-id: a108a6cf9ca61ae58c2f90dcf0c58e7b11875171
parent b748664c
......@@ -37,55 +37,8 @@
<div class="tab-pane fade show active" id="compound" role="tabpanel" aria-labelledby="compound-tab">
<div class="card">
<div class="card-body">
<ul class="list-group">
<li class="list-group-item">Common name: {{ compound.common_name }}</li>
<li class="list-group-item">Canonical SMILES: {{ compound.canonical_smile }}</li>
<li class="list-group-item">IUPAC name: {{ compound.iupac_name }}</li>
<li class="list-group-item">Aromatic ratio: {{ compound.aromatic_ratio }}</li>
<li class="list-group-item">Balaban index: {{ compound.balaban_index }}</li>
<li class="list-group-item">Fsp3: {{ compound.fsp3 }}</li>
<li class="list-group-item">GC molar refractivity: {{ compound.gc_molar_refractivity }}</li>
<li class="list-group-item" title="Partition coefficient octanol-1/water, with pKa information">LogD: {{ compound.log_d }}</li>
<li class="list-group-item" title="Partition coefficient octanol-1/water">ALogP: {{ compound.a_log_p }}</li>
<li class="list-group-item" title="computed with VdW radii">Mean atom volume: {{ compound.mean_atom_vol_vdw }}</li>
<li class="list-group-item">Molecular weight: {{ compound.molecular_weight }}</li>
<li class="list-group-item">Number of hydrogen bond acceptors: {{ compound.nb_acceptor_h }}</li>
<li class="list-group-item">Number of aliphatics amines: {{ compound.nb_aliphatic_amines }}</li>
<li class="list-group-item">Number of aromatic bonds: {{ compound.nb_aromatic_bonds }}</li>
<li class="list-group-item">Number of aromatic ethers: {{ compound.nb_aromatic_ether }}</li>
<li class="list-group-item" title="Smallest Set of System Rings">Number of aromatic SSSRs: {{ compound.nb_aromatic_sssr }}</li>
<li class="list-group-item">Number of atoms: {{ compound.nb_atom }}</li>
<li class="list-group-item">Number of non hydrogen atoms: {{ compound.nb_atom_non_h }}</li>
<li class="list-group-item">Number of benzene-like rings: {{ compound.nb_benzene_like_rings }}</li>
<li class="list-group-item">Number of bonds: {{ compound.nb_bonds }}</li>
<li class="list-group-item">Number of bonds not involving a hydrogen: {{ compound.nb_bonds_non_h }}</li>
<li class="list-group-item">Number of Bromine atoms: {{ compound.nb_br }}</li>
<li class="list-group-item">Number of Carbon atoms: {{ compound.nb_c }}</li>
<li class="list-group-item">Number of chiral centers: {{ compound.nb_chiral_centers }}</li>
<li class="list-group-item">Number of circuits: {{ compound.nb_circuits }}</li>
<li class="list-group-item">Number of Chlorine atoms: {{ compound.nb_cl }}</li>
<li class="list-group-item">Number of sp2-hybridized carbon atoms: {{ compound.nb_csp2 }}</li>
<li class="list-group-item">Number of sp3-hybridized carbon atoms: {{ compound.nb_csp3 }}</li>
<li class="list-group-item">Number of hydrogen bond donors: {{ compound.nb_donor_h }}</li>
<li class="list-group-item">Number of double bonds: {{ compound.nb_double_bonds }}</li>
<li class="list-group-item">Number of Fluorine atoms: {{ compound.nb_f }}</li>
<li class="list-group-item">Number of Iodine atoms: {{ compound.nb_i }}</li>
<li class="list-group-item">Number of multiple bonds: {{ compound.nb_multiple_bonds }}</li>
<li class="list-group-item">Number of Nitrogen atoms: {{ compound.nb_n }}</li>
<li class="list-group-item">Number of Oxygen atoms: {{ compound.nb_o }}</li>
<li class="list-group-item">Number of rings: {{ compound.nb_rings }}</li>
<li class="list-group-item">Number of rotatable bonds: {{ compound.nb_rotatable_bonds }}</li>
<li class="list-group-item">Randic index: {{ compound.randic_index }}</li>
<li class="list-group-item" title="radial distribution function weighted by the atomic masses at 7Å">RDF070m: {{ compound.rdf070m }}</li>
<li class="list-group-item">Fraction of rotatable bonds: {{ compound.rotatable_bond_fraction }}</li>
<li class="list-group-item">Sum of atomic polarizabilities: {{ compound.sum_atom_polar }}</li>
<li class="list-group-item">Sum of atom volumes computed with VdW radii: {{ compound.sum_atom_vol_vdw }}</li>
<li class="list-group-item" title="Topological Polar Surface Area">TPSA: {{ compound.tpsa }}</li>
<li class="list-group-item">Unsaturation index: {{ compound.ui }}</li>
<li class="list-group-item">Wiener index: {{ compound.wiener_index }}</li>
{% include "compound_db_links.html" %}
{% include "compound_l_item.html" with compound=compound show_detail=True %}
<div class="tab-pane fade" id="physicochemistry" role="tabpanel" aria-labelledby="physicochemistry-tab">
<div class="row m-2 border border-info bg-light">
{%if show_detail != True %}
<div class="col-sm-3 border-info d-flex justify-content-center align-content-center">
<a href="/compounds/{{ }}">{% include "compound_smiles_draw.html" with smile=compound.canonical_smile %}</a>
<h2 class="position-absolute" style="top:0.3em; left:0.3em;"><span class="badge badge-dark"><a href="/compounds/{{ }}">{{ }}</a></span></h2>
......@@ -6,7 +7,8 @@
<h2 class="position-absolute" style="top:0.3em; right:0.3em;" title="tanimoto similarity value"><span class="badge badge-dark text-warning">{{ compound.tanimoto }}</span></h2>
{% endif %}
<div class="col-sm-9">
{% endif %}
<div class="{%if show_detail != True %}col-sm-9{% else %}col-sm-12{% endif %}">
<h4 class="pt-2">Identifiers</h4>
<ul class="list-group">
{% if compound.common_name %}
......@@ -29,6 +31,10 @@
<h4 class="pt-2">External links</h4>
{% include "compound_db_links.html" %}
{% endif %}
{%if show_detail == True and compound.inchikey %}
<h4 class="pt-2">External search</h4>
{% include "compound_dbsearch_links.html" %}
{% endif %}
{% if compound.biblio_refs %}
<h4 class="pt-2">Bibliography</h4>
<table class="table">
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