Changeset 6b932c7
- Timestamp:
- Jan 2, 2010, 3:53:39 PM (15 years ago)
- 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, 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:
- 235bed
- Parents:
- 477bb2
- Location:
- src
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/menu.cpp
r477bb2 r6b932c7 899 899 900 900 901 void oldmenu::createNewMolecule(periodentafel *periode,MoleculeListClass *molecules) {902 molecules->createNewMolecule(periode);903 };904 905 void oldmenu::loadFromXYZ(periodentafel *periode,MoleculeListClass *molecules){906 molecules->loadFromXYZ(periode);907 }908 909 void oldmenu::changeName(MoleculeListClass *molecules){910 molecules->changeName();911 }912 913 void oldmenu::setMoleculeFilename(MoleculeListClass *molecules) {914 molecules->setMoleculeFilename();915 }916 917 void oldmenu::parseXYZIntoMolecule(MoleculeListClass *molecules){918 molecules->parseXYZIntoMolecule();919 };920 921 void oldmenu::eraseMolecule(MoleculeListClass *molecules){922 molecules->eraseMolecule();923 };924 925 901 /** Submenu for merging molecules. 926 902 * \param *periode periodentafel … … 1175 1151 new ActionMenuItem('q',"quit",main_menu,quitAction); 1176 1152 1153 1154 1177 1155 // build the EditMoleculesMenu 1178 Action *createMoleculeAction = new MethodAction(boost::bind(& oldmenu::createNewMolecule,this,periode,molecules));1156 Action *createMoleculeAction = new MethodAction(boost::bind(&MoleculeListClass::createNewMolecule,molecules,periode)); 1179 1157 new ActionMenuItem('c',"create new molecule",edit_molecules_menu,createMoleculeAction); 1180 1158 1181 Action *loadMoleculeAction = new MethodAction(boost::bind(& oldmenu::loadFromXYZ,this,periode,molecules));1159 Action *loadMoleculeAction = new MethodAction(boost::bind(&MoleculeListClass::loadFromXYZ,molecules,periode)); 1182 1160 new ActionMenuItem('l',"load molecule from xyz file",edit_molecules_menu,loadMoleculeAction); 1183 1161 1184 Action *changeFilenameAction = new MethodAction(boost::bind(& oldmenu::changeName,this,molecules));1162 Action *changeFilenameAction = new MethodAction(boost::bind(&MoleculeListClass::changeName,molecules)); 1185 1163 new ActionMenuItem('n',"change molecule's name",edit_molecules_menu,changeFilenameAction); 1186 1164 1187 Action *giveFilenameAction = new MethodAction(boost::bind(& oldmenu::setMoleculeFilename,this,molecules));1165 Action *giveFilenameAction = new MethodAction(boost::bind(&MoleculeListClass::setMoleculeFilename,molecules)); 1188 1166 new ActionMenuItem('N',"give molecules filename",edit_molecules_menu,giveFilenameAction); 1189 1167 1190 Action *parseAtomsAction = new MethodAction(boost::bind(& oldmenu::parseXYZIntoMolecule,this,molecules));1168 Action *parseAtomsAction = new MethodAction(boost::bind(&MoleculeListClass::parseXYZIntoMolecule,molecules)); 1191 1169 new ActionMenuItem('p',"parse atoms in xyz file into molecule",edit_molecules_menu,parseAtomsAction); 1192 1170 1193 Action *eraseMoleculeAction = new MethodAction(boost::bind(& oldmenu::eraseMolecule,this,molecules));1171 Action *eraseMoleculeAction = new MethodAction(boost::bind(&MoleculeListClass::eraseMolecule,molecules)); 1194 1172 new ActionMenuItem('r',"remove a molecule",edit_molecules_menu,eraseMoleculeAction); 1195 1173 -
src/menu.hpp
r477bb2 r6b932c7 26 26 void SaveConfig(char *, config *, periodentafel *, MoleculeListClass *); 27 27 28 // Methods extracted from EditMolecules. Probably to be moved to moleculeListClass29 void createNewMolecule(periodentafel *periode,MoleculeListClass *molecules);30 void loadFromXYZ(periodentafel *periode,MoleculeListClass *molecules);31 void changeName(MoleculeListClass *molecules);32 void setMoleculeFilename(MoleculeListClass *molecules);33 void parseXYZIntoMolecule(MoleculeListClass *molecules);34 void eraseMolecule(MoleculeListClass *molecules);35 36 28 protected: 37 29 void AddAtoms(periodentafel *, molecule *);
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