Changeset 0ac85c3 for doc/userguide

Timestamp:

Jan 29, 2015, 7:37:57 AM (11 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

27e464

Parents:

7b38d3 (diff), 4f2895 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'GUI_TesselatedLargeMolecules' into Candidate_v1.4.10

File:

• doc/userguide/userguide.xml (modified) (3 diffs)

doc/userguide/userguide.xml

@@ -629 +629 @@
                 </programlisting>
               </listitem>
+
+              <listitem>
+                <para>Push/Pop the current selection to/from a stack to store 
+                it momentarily and allow modifications in MakroActions.</para>
+                <programlisting>
+                ... --push-atom-selection
+                </programlisting>
+                <programlisting>
+                ... --pop-atom-selection
+                </programlisting>
+              </listitem>
             </itemizedlist>
           </listitem>
@@ -709 +720 @@
                 <programlisting>
                 ... --unselect-atoms-molecules
+                </programlisting>
+              </listitem>
+
+              <listitem>
+                <para>Push/Pop the current selection to/from a stack to store 
+                it momentarily and allow modifications in MakroActions.</para>
+                <programlisting>
+                ... --push-molecule-selection
+                </programlisting>
+                <programlisting>
+                ... --pop-molecule-selection
                 </programlisting>
               </listitem>
@@ -1247 +1269 @@
             (without suffix) as its name.</para>
           </note>
+        </section>
+
+        <section xml:id='molecule.remove-molecule'>
+          <title xml:id='molecule.remove-molecule.title'>Remove molecules
+          </title>
+
+          <para>This removes one or multiple selected molecules.</para>
+
+          <programlisting>... -remove-molecule</programlisting>
+
+          <para>This essentially just removes all of the molecules' atoms
+          which in turn also causes the removal of the molecule.</para>
+        </section>
+
+        <section xml:id='molecule.translate-molecules'>
+          <title xml:id='molecule.translate-molecules.title'>Translate molecules
+          </title>
+
+          <para>This translates one or multiple selected molecules by a
+          specific offset..</para>
+
+          <programlisting>... -translate-molecules</programlisting>
+
+          <para>This essentially translates all of the molecules' atoms.</para>
         </section>