gbranden pushed a commit to branch master
in repository groff.
commit 9c19350871b0ef3d6d7d0cb12019239a279f32c3
Author: Norwid Behrnd <[email protected]>
AuthorDate: Mon Jan 19 18:21:12 2026 -0600
[chem]: Fix Savannah #67922 (3/3).
* contrib/chem/examples/morphine.chem: Resurrect, rewritten as a more
advanced example of how to use chem. The visualization follows the
rules compiled by Brecher[1] in the orientation of morphine {as
illustration of rule P-13.8.1.1} and parental hydride morphinane (in
appendix 3) of IUAPC's Blue Book.[2,3]
[1] Brecher, J. Graphical Representation Standards for Chemical
Structure Diagrams (IUPAC Recommendations 2008). Pure Appl. Chem.
2008, 80 (2), 277–410. https://doi.org/10.1351/pac200880020277.
[2] Nomenclature of Organic Chemistry: IUPAC Recommendations and
Preferred Names 2013; Favre, H. A., Powell, W. H., International
Union of Pure and Applied Chemistry, Eds.; Royal Society of
Chemistry: Cambridge, 2014.
[3] https://iupac.qmul.ac.uk/BlueBook/
Fixes <https://savannah.gnu.org/bugs/?67922>.
[I recast the ChangeLog entry to be in active voice, which I understand
to be more idiomatic in software engineering than the passive voice we
commonly observe in publications in the experimental sciences. --GBR]
---
contrib/chem/ChangeLog | 20 ++++++++++++++++++++
contrib/chem/chem.am | 1 +
contrib/chem/examples/morphine.chem | 32 ++++++++++++++++++++++++++++++++
3 files changed, 53 insertions(+)
diff --git a/contrib/chem/ChangeLog b/contrib/chem/ChangeLog
index 5eeb1d598..e394b19c9 100644
--- a/contrib/chem/ChangeLog
+++ b/contrib/chem/ChangeLog
@@ -1,3 +1,23 @@
+2026-01-18 Norwid Behrnd <[email protected]>
+
+ * examples/morphine.chem: Resurrect, rewritting as a more
+ advanced example of how to use chem. Make the visualization
+ follow the rules compiled by Brecher[1] in the orientation of
+ morphine (as illustration of rule P-13.8.1.1) and parental
+ hydride morphinane (in appendix 3) of IUAPC's Blue Book.[2,3]
+
+ [1] Brecher, J. Graphical Representation Standards for Chemical
+ Structure Diagrams (IUPAC Recommendations 2008). Pure Appl.
+ Chem. 2008, 80 (2), 277–410.
+ https://doi.org/10.1351/pac200880020277.
+ [2] Nomenclature of Organic Chemistry: IUPAC Recommendations and
+ Preferred Names 2013; Favre, H. A., Powell, W. H.,
+ International Union of Pure and Applied Chemistry, Eds.;
+ Royal Society of Chemistry: Cambridge, 2014.
+ [3] https://iupac.qmul.ac.uk/BlueBook/
+
+ Fixes <https://savannah.gnu.org/bugs/?67922>.
+
2026-01-18 Norwid Behrnd <[email protected]>
* examples/mepacrine.chem: Update to describe mepacrine. Now
diff --git a/contrib/chem/chem.am b/contrib/chem/chem.am
index 4a072ea66..116285db3 100644
--- a/contrib/chem/chem.am
+++ b/contrib/chem/chem.am
@@ -35,6 +35,7 @@ CHEM_EXAMPLES = \
contrib/chem/examples/ethamivan.chem \
contrib/chem/examples/lsd.chem \
contrib/chem/examples/mepacrine.chem \
+ contrib/chem/examples/morphine.chem \
contrib/chem/examples/penicillin.chem \
contrib/chem/examples/reserpine.chem
diff --git a/contrib/chem/examples/morphine.chem
b/contrib/chem/examples/morphine.chem
new file mode 100644
index 000000000..24c8e638c
--- /dev/null
+++ b/contrib/chem/examples/morphine.chem
@@ -0,0 +1,32 @@
+morphine.chem:
+.cstart
+
+# Example file for chem:
+# Morphine or C_17H_19NO_3 (CAS-RN: 57-27-2)
+#
+# Found at https://en.wikipedia.org/wiki/Morphine
+#
+# Prepared by Bernd Warken <[email protected]>,
+# reorganized by Norwid Behrnd <[email protected]>.
+
+R1: ring6 double 1,2 3,4 5,6
+R2: ring6 with .V1 at R1.V3
+R3: ring6 with .V1 at R2.V5 double 3,4
+
+ bond -150 length 0.28 from R1.V5 ; O
+ backbond -30 length 0.28 from R3.V6
+
+ frontbond 120 from R2.V3 ; N
+ Me right of N
+BP: bond up from N
+ frontbond 50 from R2.V5
+ bond right to BP.end
+
+ bond -60 from R1.V6 ; HO
+ frontbond 120 from R2.V4 ; H
+ backbond -120 from R3.V5 ; HO
+
+# Local Variables:
+# mode: Nroff
+# End:
+.cend
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