Changeset 9a1e35c for doc

Timestamp:

May 8, 2017, 1:59:04 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

9eed14

Parents:

ce254c

git-author:

Frederik Heber <heber@…> (03/22/17 15:42:35)

git-committer:

Frederik Heber <frederik.heber@…> (05/08/17 13:59:04)

Message:

Added RotateAroundBondAction.

• TESTS: added regression test.
• DOCU: added explanation to userguide.

File:

• doc/userguide/userguide.xml (modified) (1 diff)

doc/userguide/userguide.xml

@@ -1055 +1055 @@
           <para>As before, this is actually just an operation on all of the molecule&apos;s atoms, namely translating them.</para>
         </section>
+        <section xml:id="molecule.rotate-around-bond">
+          <title xml:id="molecule.rotate-around-bond.title">Rotate around bond </title>
+          <para>This rotates parts of a molecule around a given bond, i.e. the
+          bond vector becomes the rotation axis but only atoms on the side of
+          second atom get rotated. This naturally does not work for bonds in a
+          cycle.</para>
+          <programlisting>
+  ... --rotate-around-bond &quot;90&quot; \
+      --bond-side 0\
+   </programlisting>
+        </section>
         <section xml:id="molecule.rotate-around-self">
           <title xml:id="molecule.rotate-around-self.title">Rotate around self </title>