From 525269a9f663d02546e2de22ddd79294cc246f57 Mon Sep 17 00:00:00 2001
From: Johannes Ranke <johannes.ranke@jrwb.de>
Date: Thu, 5 Mar 2026 15:57:01 +0100
Subject: Rebuild docs

---
 docs/news/index.html |  2 +-
 docs/news/index.md   | 37 +++++++++++++++++++++++++++++++++++++
 2 files changed, 38 insertions(+), 1 deletion(-)
 create mode 100644 docs/news/index.md

(limited to 'docs/news')

diff --git a/docs/news/index.html b/docs/news/index.html
index fd27893..1020efc 100644
--- a/docs/news/index.html
+++ b/docs/news/index.html
@@ -58,7 +58,7 @@
 </div>
 
 <div class="pkgdown-footer-right">
-  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.3.</p>
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.2.0.</p>
 </div>
 
     </footer></div>
diff --git a/docs/news/index.md b/docs/news/index.md
new file mode 100644
index 0000000..32ad5c9
--- /dev/null
+++ b/docs/news/index.md
@@ -0,0 +1,37 @@
+# Changelog
+
+## version 0.4.1
+
+- R/chent.R: Improve print method for `pai` objects.
+
+## version 0.4.0
+
+- R/chent.R: PubChem has changed the names of the SMILES codes they
+  provide. The former isomeric smiles that was incorporated in our chent
+  objects as “Pubchem_Isomeric” is now simply calles SMILES, and is
+  incorporated in our objects as “PubChem”. The SMILES code formerly
+  given as “canonical” is now termed “connectivity SMILES” because it
+  does not contain isotopic or stereochemical specifications. In the
+  chents object, it is now available under the name
+  “PubChem_Connectivity”. This is a breaking change, so objects
+  generated with versions \< 0.4.0 may produce errors when used with
+  current versions.
+
+## version 0.3.7
+
+- R/chent.R: Do not attempt to load a chyaml file per default, as the
+  format of such a file and the resulting chyaml list object is not
+  documented and would need to be inferred from its use in the pfm
+  package.
+
+## version 0.3.6
+
+- R/chent.R: Set the fields `smiles`, `inchikey` and `mw` to NA if these
+  fields are still NULL at the end of the initialization, with `source`
+  attribute set to “user”, assuming that the initialisation was
+  carefully done and `pubchem` and `rdkit` were skipped because the
+  structure is not well-defined.
+
+Please refer to the ChangeLog for commit messages up to November 2021,
+where I changed the GNUmakefile not to include commit messages in that
+file any more.
-- 
cgit v1.2.3