Nodyn:Chembox/testcases

Test {{Chembox Identifiers}}. Copied from source: en:Template:Chembox/testcases2

• cywiki notes

Lefthand = {{chembox/sandbox}} (missing in cywiki).

Righthand side = live version so should be OK. -DePiep (sgwrs) 14:23, 20 Gorffennaf 2017 (UTC)

When redlinked in the infobox, on lefthand, the article is missing at cywiki. For example:

PubChem

To solve: click & create article. When the article takes a different name (in cy language), do create the cy named article and change in the subtemplate. Example:

en:CAS number

cy: Rhif CAS (to create)

set in subtemplate {{Chembox CASNo}} (to edit)

-DePiep (sgwrs) 17:11, 20 Gorffennaf 2017 (UTC)

Subtemplates used

(this list may be outdated/incomplete. {{Chembox Identifiers}} is defining).

Indexed parameters

• {{Chembox CASNo}}, {{Chembox CASNo/format}}

for indexed parameters: CASNo, CASNo1, CASNo2, CASNo3, CASNo4, CASNo5

and having: CASNo_Comment, CASNo1_Comment, CASNo2_Comment, CASNo3_Comment, CASNo4_Comment, CASNo5_Comment

Also, once: CASNoOther (any text, shown unedited)

Similarly:

• {{Chembox ChEBI}}

{{Chembox ChEBI/format}}

• {{Chembox ChEMBL}}

{{Chembox ChEMBL/format}}

• {{Chembox ChemSpiderID}}

{{Chembox ChemSpiderID/format}}

• {{Chembox DrugBank}}

{{Chembox DrugBank/format}}

• {{Chembox InChI}}

{{Chembox InChI/format}}

• {{Chembox IUPHAR ligand}}

{{Chembox IUPHAR ligand/format}}

• {{Chembox Jmol}}

{{Chembox Jmol/format}}

• {{Chembox KEGG}}

{{Chembox KEGG/format}}

• {{Chembox PubChem}}

{{Chembox PubChem/format}}

• {{Chembox SMILES}}

{{Chembox SMILES/format}}

• {{Chembox UNII}}

{{Chembox UNII/format}}

Non-indexed parameters

• {{Chembox 3DMet}}
• {{Chembox Abbreviations}}
• {{Chembox Beilstein}}
• {{Chembox ECNumber}}
• {{Chembox Gmelin}}
• {{Chembox MeSHName}}
• {{Chembox RTECS}}
• {{Chembox UNNumber}}

Indentifiers

All identifiers

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
CAS Number	casno0 casno0cmt casno1 casno1cmt
3D model (Jmol)	smi0cmt: Delwedd ryngweithiol smi1cmt: Delwedd ryngweithiol
3DMet	3dmet
Byrnodau	abbr
Cyfeirnodau Beilstein	beilst
ChEBI	CHEBI:chebi
ChemSpider	spi0 spi0cmt spi4
DrugBank	drubBk drubBk drubBk cmt drubBk cmt2 drubBk drubBk cmt4 drubBk cmt5
Rhif EC	einecsecnr
Cyfeirnodau Gmelin	geme
IUPHAR/BPS	iupharlig 4781
KEGG	kegg
MeSH	[www.nlm.nih.gov/cgi/show_data.php?acc={{{MeSH}}} {{{MeSH}}}]
PubChem
Rhif RTECS	rtecs
UNII	unii0 unii1 uni5
Rhif yr UN	unnnr
InChI InChI=12345376/S InChI=12345376 inchiooo
SMILES smi0cmt: smi0 smi1cmt: smi1

• Tracking categories (test):

SMILES and Jmol

DDT: | SMILES = Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

Nitroglycerine | Jmol = C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

basic

• has SM=

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

• Tracking categories (test):

Jmol

Has SM and Jmol input

Nodyn:Chembox/sandbox

Jmol overwrite

Dynodwyr
3D model (Jmol)	Delwedd ryngweithiol
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

• Tracking categories (test):

Has SM=, and Jmol=None

Nodyn:Chembox/sandbox

Jmol is None

Dynodwyr
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

• Tracking categories (test):

Jmol more tests

Nodyn:Chembox/sandbox

Jmol ovwr

Dynodwyr
3D model (Jmol)	Delwedd ryngweithiol Delwedd ryngweithiol
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

• Tracking categories (test):

Nodyn:Chembox/sandbox

Jmol1,2 is None,alt

Dynodwyr
3D model (Jmol)	Delwedd ryngweithiol
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl

• Tracking categories (test):

Jmoln indexes

SMILES input parameters can have indexes: <blank>, 1, 2, 3, 4, 5: (parameters |SMILES= ... |SMILES5=). Indexed |Jmoln= corresponds with these SMILES input. So |Jmol3= will overwrite input |SMILES3= for the Jmol3 link.

I apologise for the crude input examples. What needs to be tested is that Jmolm overwrites SMILESm.

Nodyn:Chembox/sandbox

All indexes used:

Dynodwyr
3D model (Jmol)	Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl N Cl Au Hg C Some other SMILES note

• Tracking categories (test):

Nodyn:Chembox/sandbox

All up; SM1=empty; Jml4=none

Dynodwyr
3D model (Jmol)	Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol Delwedd ryngweithiol
PubChem
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Cl Au Hg C Some other SMILES note

• Tracking categories (test):

SMILESn_Comment handling

eg |SMILES1_Comment=smi1cmt. Jmol-datarow reuses any SMILES_Comment.

Nodyn:Chembox/sandbox

All indexes used +SMcmt:

Dynodwyr
3D model (Jmol)	smicmt: Delwedd ryngweithiol smi1cmt: Delwedd ryngweithiol smi2cmt: Delwedd ryngweithiol smi3cmt: Delwedd ryngweithiol smi4cmt: Delwedd ryngweithiol smi5cmt: Delwedd ryngweithiol
PubChem
SMILES smicmt: Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl smi1cmt: N smi2cmt: Cl smi3cmt: Au smi4cmt: Hg smi5cmt: C Some other SMILES note

• Tracking categories (test):

Nodyn:Chembox/sandbox

All up; SM1=empty; Jml4=none; cmt2=blank

Dynodwyr
3D model (Jmol)	smicmt: Delwedd ryngweithiol smi1cmt: Delwedd ryngweithiol Delwedd ryngweithiol smi3cmt: Delwedd ryngweithiol smi5cmt: Delwedd ryngweithiol
PubChem
SMILES smicmt: Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Cl smi3cmt: Au smi4cmt: Hg smi5cmt: C Some other SMILES note

• Tracking categories (test):

ChemSpiderID

base

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
ChemSpider	spid0
PubChem

• Tracking categories (test):

NA

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
ChemSpider	None
PubChem

• Tracking categories (test):

multiple

Nodyn:Chembox/sandbox

ChemSpiderID

base

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
ChemSpider	spid0
PubChem

• Tracking categories (test):

NA

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
ChemSpider	NA
PubChem

• Tracking categories (test):

multiple

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
ChemSpider	spid0 NA
PubChem

• Tracking categories (test):

blank

Nodyn:Chembox/sandbox

Chembox/testcases

Dynodwyr
PubChem

• Tracking categories (test):