Template:Molecule: Difference between revisions

Latest revision as of 13:55, 21 November 2024

Template for Molecule ‎

@@ Line 1: / Line 1: @@
 <noinclude>Template for Molecule</noinclude>
 ‎<includeonly>
-* Smiles: {{#set: Smiles={{{smiles}}} }} {{{smiles}}}
-{{#if: {{{cid|}}} |* PubChem: [https://pubchem.ncbi.nlm.nih.gov/compound/{{{cid}}} {{{cid}}}]|}}
+{| class="float-right infobox molecule-infobox wikitable" style="font-size:90%; margin-top:0; width:410px; max-width:500px;"
-{{#if: {{{cas|}}} |* CAS: {{#set: CAS={{{cas}}} }} {{{cas}}}|}}
+|-
-{{#if: {{{iupacName|}}} |* IUPAC-Name: {{#set: IUPACName={{{iupacName}}} }} {{{iupacName}}}|}}
+!colspan="2" style="font-size:120%; text-align:center; " | Properties
-{{#if: {{{abbrev|}}} |* Abbreviation: {{#set: Abbreviation={{{abbrev}}} }} {{{abbrev}}}|}}
+|-
-{{#if: {{{trivialname|}}} |* Trivialname: {{#set: Trivialname={{{trivialname}}} }} {{{trivialname}}}|}}
+| CID || {{#if: {{{cid|}}} | [https://pubchem.ncbi.nlm.nih.gov/compound/{{{cid}}} {{{cid}}}]|n/a}}
-{{#if: {{{molecularMass|}}} |* Molecular mass: {{#set: MolecularMass={{{molecularMass}}} }} {{{molecularMass}}}|}}
+|-
-{{#if: {{{molecularFormula|}}} |* Molecular formula: {{#set: MolecularFormula={{{molecularFormula}}} }} {{{molecularFormula}}}|}}
+| CAS || {{#if: {{{cas|}}} | {{#set: CAS={{{cas}}} }} {{{cas}}}|n/a}}
-{{#if: {{{logP|}}} |* LogP: {{#set: LogP={{{logP}}} }} {{{logP}}}|}}
+|-
-{{#if: {{{hasVendors|}}} |* Has vendors: {{#set: HasVendors={{{hasVendors}}} }} {{{hasVendors}}}|}}
+| IUPAC-Name || {{#if: {{{iupacName|}}} | {{#set: IUPACName={{{iupacName}}} }} {{{iupacName}}}|n/a}}
-{{#if: {{{synonyms|}}} |* Synonyms: {{#arraymap:{{{synonyms|}}}|,|x| [[Synonym::x]] }} |}}
+|-
+| Abbreviation || {{#if: {{{abbrev|}}} | {{#set: Abbreviation={{{abbrev}}} }} {{{abbrev}}}|n/a}}
+|-
+| Trivialname|| {{#if: {{{trivialname|}}} | {{#set: Trivialname={{{trivialname}}} }} {{{trivialname}}}|n/a}}
+|-
+| Exact mass ||  {{#if: {{{molecularMass|}}} | {{#set: MolecularMass={{{molecularMass}}} }} {{{molecularMass}}}|n/a}}
+|-
+| Molecular formula ||{{#if: {{{molecularFormula|}}} | {{#set: MolecularFormula={{{molecularFormula}}} }} {{{molecularFormula}}}|n/a}}
+|-
+| LogP || {{#if: {{{logP|}}} | {{#set: LogP={{{logP}}} }} {{{logP}}}|n/a}}
+|-
+| Has vendors || {{#if: {{{hasVendors|}}} | {{#set: HasVendors={{{hasVendors}}} }} {{{hasVendors}}}|n/a}}
+|-
+| Molecular role || {{#if: {{{molecular_role|}}} | {{#arraymap:{{{molecular_role|}}}|,|x| [[MolecularRole::x]] }}|n/a}}
+|-
+| Synonyms|| {{#if: {{{synonyms|}}} | {{#arraymap:{{{synonyms|}}}|$|x| [[Synonym::x]] }} |n/a}}
+|-
+|}
-{{#if: {{{inchi|}}} |* InChI: {{#set: InChI={{{inchi}}} }} {{{inchi}}}|}}
-{{#if: {{{inchikey|}}} |* InChI-Key: {{#set: InChIKey={{{inchikey}}} }} {{{inchikey}}}|}}
-{{#if: {{{abbrev|}}} |* Abbreviation: {{#set: Abbreviation={{{abbrev}}} }} {{{abbrev}}}|}}
-{{#if: {{{trivialname|}}} |* Trivialname: {{#set: Trivialname={{{trivialname}}} }} {{{trivialname}}}|}}
-{{#if: {{{parent|}}} |* Belongs to molecule collection: [[{{{parent}}}]] | }}
 {{#tag:chemform|
 {{{molOrRxn}}}
@@ Line 24: / Line 35: @@
 |inchikey={{{inchikey|}}}
 }}
+{{#arraymap:{{#extractElements:|formula={{{smiles|}}} }}|,|x|[[ContainsElement::x| ]]|\s}}
+<div>
+<div><span class="ce-copy-molOrRxn">Click here to copy MOL-file.</span></div>
+<div><span class="toggle-box" resource="chemdata">Click here to show SMILES and InChI.</span></div>
+{| id="chemdata" class="infobox wikitable" style="display:none;"
+|-
+| InChI || {{#if: {{{inchi|}}} | {{#set: InChI={{{inchi}}} }} {{{inchi}}}|}}
+|-
+| InChI-Key || {{#if: {{{inchikey|}}} | {{#set: InChIKey={{{inchikey}}} }} {{{inchikey}}}|}}
+|-
+| SMILES || {{#set: Smiles={{{smiles}}} }} {{{smiles}}}
+|-
+|}
+{{#set: Molfile={{{molOrRxn}}} }}
+</div>
+{{#if: {{{parent|}}} | Belongs to molecule collection: [[{{{parent}}}]] | }}
 [[Category:Molecule]]
 ‎<includeonly>

Template:Molecule: Difference between revisions

Latest revision as of 13:55, 21 November 2024

Current site

Topics