Changes in / [5c8807:b119a0]


Ignore:
Files:
11 deleted
5 edited

Legend:

Unmodified
Added
Removed

  • doc/userguide/userguide.xml

    r5c8807 rb119a0  
    969969          </programlisting>
    970970        </section>
    971 
    972         <section xml:id='atoms.translate-to-origin'>
    973           <title xml:id='atoms.translate-to-origin.title'>Translating atoms</title>
    974 
    975           <para>The following Action is convenient to place a subset of atoms
    976           at a known position, the origin, and then translate to some other
    977           absolute coordinate. It calculates the average position of the set
    978           of selected atoms and then translates all atoms by the negative of
    979           this center, i.e. the center is afterwards at the origin.</para>
    980 
    981           <programlisting>... --translate-to-origin</programlisting>
    982         </section>
    983971
    984972        <section xml:id='atoms.change-element'>
    … …  
    17701758        </section>
    17711759
    1772         <section xml:id='analysis.molecular-volume'>
    1773           <title xml:id='analysis.molecular-volume.title'>Molecular Volume
     1760        <section xml:id='analysis.molecullar-volume'>
     1761          <title xml:id='analysis.molecullar-volume.title'>Molecular Volume
    17741762          </title>
    17751763         
    … …  
    17791767          that each node of the tesselation consists of an atom of the
    17801768          molecule.</para>
    1781 
    1782           <programlisting>... --molecular-volume</programlisting>
    1783         </section>
    1784 
    1785         <section xml:id='analysis.average-molecule-force'>
    1786           <title xml:id='analysis.average-molecule-forcetitle'>Average force
    1787           acting on a molecule</title>
    1788          
    1789           <para>This sums up all the forces of each atom of a currently
    1790           selected molecule and returns the average force vector. This should
    1791           give you the general direction of acceleration of the molecule.
    1792           </para>
    17931769
    17941770          <programlisting>... --molecular-volume</programlisting>

  • src/Actions/GlobalListOfActions.hpp

    r5c8807 rb119a0  
    2222#define GLOBALLISTOFACTIONS_initial \
    2323  (Redo) \
    24   (AnalysisAverageMoleculeForce) \
    2524  (AnalysisDipoleAngularCorrelation) \
    2625  (AnalysisDipoleCorrelation) \
    … …  
    3736  (AtomSaveSelectedAtoms) \
    3837  (AtomTranslate) \
    39   (AtomTranslateToOrigin) \
    4038  (BondAdd) \
    4139  (BondRemove) \

  • src/Actions/Makefile.am

    r5c8807 rb119a0  
    117117
    118118ANALYSISACTIONSOURCE = \
    119   Actions/AnalysisAction/AverageMoleculeForceAction.cpp \
    120119  Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp \
    121120  Actions/AnalysisAction/DipoleCorrelationAction.cpp \
    … …  
    126125  Actions/AnalysisAction/SurfaceCorrelationAction.cpp
    127126ANALYSISACTIONHEADER = \
    128   Actions/AnalysisAction/AverageMoleculeForceAction.hpp \
    129127  Actions/AnalysisAction/DipoleAngularCorrelationAction.hpp \
    130128  Actions/AnalysisAction/DipoleCorrelationAction.hpp \
    … …  
    135133  Actions/AnalysisAction/SurfaceCorrelationAction.hpp
    136134ANALYSISACTIONDEFS = \
    137   Actions/AnalysisAction/AverageMoleculeForceAction.def \
    138135  Actions/AnalysisAction/DipoleAngularCorrelationAction.def \
    139136  Actions/AnalysisAction/DipoleCorrelationAction.def \
    … …  
    151148  Actions/AtomAction/RotateAroundOriginByAngleAction.cpp \
    152149  Actions/AtomAction/SaveSelectedAtomsAction.cpp \
    153   Actions/AtomAction/TranslateAction.cpp \
    154   Actions/AtomAction/TranslateToOriginAction.cpp
     150  Actions/AtomAction/TranslateAction.cpp
    155151ATOMACTIONHEADER = \
    156152  Actions/AtomAction/AddAction.hpp \
    … …  
    160156  Actions/AtomAction/RotateAroundOriginByAngleAction.hpp \
    161157  Actions/AtomAction/SaveSelectedAtomsAction.hpp \
    162   Actions/AtomAction/TranslateAction.hpp \
    163   Actions/AtomAction/TranslateToOriginAction.hpp
     158  Actions/AtomAction/TranslateAction.hpp
    164159ATOMACTIONDEFS = \
    165160  Actions/AtomAction/AddAction.def \
    … …  
    169164  Actions/AtomAction/RotateAroundOriginByAngleAction.def \
    170165  Actions/AtomAction/SaveSelectedAtomsAction.def \
    171   Actions/AtomAction/TranslateAction.def \
    172   Actions/AtomAction/TranslateToOriginAction.def
     166  Actions/AtomAction/TranslateAction.def
    173167
    174168BONDACTIONSOURCE = \

  • tests/regression/Atoms/testsuite-atoms.at

    r5c8807 rb119a0  
    3939m4_include([Atoms/Translation/testsuite-atoms-translation.at])
    4040
    41 # translate to origin
    42 m4_include([Atoms/TranslationToOrigin/testsuite-atoms-translation-to-origin.at])
    43 
    4441# mirror atoms
    4542m4_include([Atoms/Mirror/testsuite-atoms-mirror.at])

  • tests/regression/Makefile.am

    r5c8807 rb119a0  
    4141        $(srcdir)/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at \
    4242        $(srcdir)/Atoms/Translation/testsuite-atoms-translation.at \
    43         $(srcdir)/Atoms/TranslationToOrigin/testsuite-atoms-translation-to-origin.at \
    4443        $(srcdir)/Bond/testsuite-bond.at \
    4544        $(srcdir)/Bond/Add/testsuite-bond-add.at \
Note: See TracChangeset for help on using the changeset viewer.