Changeset 788dce for doc

Timestamp:

Jun 20, 2017, 7:58:36 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

5e17bf

Parents:

9a9f847

git-author:

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

git-committer:

Frederik Heber <frederik.heber@…> (06/20/17 19:58:36)

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>