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Replace − (U+2212, MINUS SIGN) with -- (#3777)

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Fix #3738
This commit is contained in:
Eisuke Kawashima
2021-02-04 18:03:21 +09:00
committed by GitHub
parent be77462ba0
commit ee31ec96be
4 changed files with 5 additions and 5 deletions
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2
Code/GraphMol/CIPLabeler/CIPLabeler.h
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@@ -29,7 +29,7 @@ namespace CIPLabeler {
* described in:
*
* Hanson, R. M., Musacchio, S., Mayfield, J. W., Vainio, M. J., Yerin, A.,
* Redkin, D. Algorithmic Analysis of Cahn−Ingold−Prelog Rules of
* Redkin, D. Algorithmic Analysis of Cahn--Ingold--Prelog Rules of
* Stereochemistry: Proposals for Revised Rules and a Guide for Machine
* Implementation. J. Chem. Inf. Model. 2018, 58, 1755-1765.
*

2
Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
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@@ -42,7 +42,7 @@ BOOST_PYTHON_MODULE(rdCIPLabeler) {
"of https://github.com/SiMolecule/centres, which was originally "
"written by John Mayfield. The original algorithm is described in:\n\n"
"Hanson, R. M., Musacchio, S., Mayfield, J. W., Vainio, M. J., Yerin, "
"A., Redkin, D.\nAlgorithmic Analysis of Cahn−Ingold−Prelog Rules of "
"A., Redkin, D.\nAlgorithmic Analysis of Cahn--Ingold--Prelog Rules of "
"Stereochemistry:\nProposals for Revised Rules and a Guide for Machine "
"Implementation.\nJ. Chem. Inf. Model. 2018, 58, 1755-1765.\n";

2
Docs/Book/RDKit_Book.rst
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@@ -1735,7 +1735,7 @@ type definitions.
.. [#morganFP] http://pubs.acs.org/doi/abs/10.1021/ci100050t
.. [#gobbiFeats] https://doi.org/10.1002/(SICI)1097-0290(199824)61:1%3C47::AID-BIT9%3E3.0.CO;2-Z
.. [#labutecip] Labute, P. "An Efficient Algorithm for the Determination of Topological RS Chirality" Journal of the Chemical Computing Group (1996)
.. [#newcip] Hanson, R. M., Musacchio, S., Mayfield, J. W., Vainio, M. J., Yerin, A., Redkin, D. "Algorithmic Analysis of Cahn−Ingold−Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation." J. Chem. Inf. Model. 2018, 58, 1755-1765.
.. [#newcip] Hanson, R. M., Musacchio, S., Mayfield, J. W., Vainio, M. J., Yerin, A., Redkin, D. "Algorithmic Analysis of Cahn--Ingold--Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation." J. Chem. Inf. Model. 2018, 58, 1755-1765.
.. [#nadinecanon] Schneider, N., Sayle, R. A. & Landrum, G. A. Get Your Atoms in Order-An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. J. Chem. Inf. Model. 2015, 55, 2111-2120.
.. [#eitherend] It's ok to have two identically ranked atoms on the two ends of the bond, but having two identically ranked atoms on the same end indicates that it's not a potential stereobond.

4
Docs/Code/CIPLabeling.md
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@@ -5,7 +5,7 @@ originally written by John Mayfield in Java. The original algorithm was
described in:
Hanson, R. M., Musacchio, S., Mayfield, J. W., Vainio, M. J., Yerin, A.,
Redkin, D. Algorithmic Analysis of Cahn−Ingold−Prelog Rules of
Redkin, D. Algorithmic Analysis of Cahn--Ingold--Prelog Rules of
Stereochemistry: Proposals for Revised Rules and a Guide for Machine
Implementation. J. Chem. Inf. Model. 2018, 58, 1755-1765.
@@ -16,7 +16,7 @@ The main function is C++ RDKit:: CIPLabeler::assignCIPLabels()/ Python:
rdkit.Chem.rdCIPLabeler.AssignCIPLabels().
`assignCIPLabels()` calculates E/Z bond stereochemistry, R/S tetrahedral
chirality, and r/s pseudochirality according to the Cahn−Ingold−Prelog rules.
chirality, and r/s pseudochirality according to the Cahn--Ingold--Prelog rules.
Each is stored in the _CIPCode property - including for bonds.
assignCIPLabels() relies on the caller to mark potential stereocenters.