Changeset 042f82 for src/moleculelist.cpp

Timestamp:

Jul 23, 2009, 2:21:57 PM (16 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, 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:

36ec71

Parents:

205ccd

Message:

fixed indentation from tabs to two spaces.

File:

• src/moleculelist.cpp (modified) (4 diffs)

src/moleculelist.cpp

@@ -523 +523 @@
 
   // open file for the force factors
-  *out << Verbose(1) << "Saving force factors ... ";
+  *out << Verbose(1) << "Saving  force factors ... ";
   line << path << "/" << FRAGMENTPREFIX << FORCESFILE;
   ForcesFile.open(line.str().c_str(), ios::out);
@@ -691 +691 @@
 MoleculeLeafClass::MoleculeLeafClass(MoleculeLeafClass *PreviousLeaf = NULL)
 {
-  //    if (Up != NULL)
-  //            if (Up->DownLeaf == NULL) // are we the first down leaf for the upper leaf?
-  //                    Up->DownLeaf = this;
-  //    UpLeaf = Up;
-  //    DownLeaf = NULL;
+  //  if (Up != NULL)
+  //    if (Up->DownLeaf == NULL) // are we the first down leaf for the upper leaf?
+  //      Up->DownLeaf = this;
+  //  UpLeaf = Up;
+  //  DownLeaf = NULL;
   Leaf = NULL;
   previous = PreviousLeaf;
@@ -711 +711 @@
 MoleculeLeafClass::~MoleculeLeafClass()
 {
-  //    if (DownLeaf != NULL) {// drop leaves further down
-  //            MoleculeLeafClass *Walker = DownLeaf;
-  //            MoleculeLeafClass *Next;
-  //            do {
-  //                    Next = Walker->NextLeaf;
-  //                    delete(Walker);
-  //                    Walker = Next;
-  //            } while (Walker != NULL);
-  //            // Last Walker sets DownLeaf automatically to NULL
-  //    }
+  //  if (DownLeaf != NULL) {// drop leaves further down
+  //    MoleculeLeafClass *Walker = DownLeaf;
+  //    MoleculeLeafClass *Next;
+  //    do {
+  //      Next = Walker->NextLeaf;
+  //      delete(Walker);
+  //      Walker = Next;
+  //    } while (Walker != NULL);
+  //    // Last Walker sets DownLeaf automatically to NULL
+  //  }
   // remove the leaf itself
   if (Leaf != NULL) {
@@ -729 +729 @@
   if (previous != NULL)
     previous->next = next;
-  //    } else { // we are first in list (connects to UpLeaf->DownLeaf)
-  //            if ((NextLeaf != NULL) && (NextLeaf->UpLeaf == NULL))
-  //                    NextLeaf->UpLeaf = UpLeaf;      // either null as we are top level or the upleaf of the first node
-  //            if (UpLeaf != NULL)
-  //                    UpLeaf->DownLeaf = NextLeaf;    // either null as we are only leaf or NextLeaf if we are just the first
-  //    }
-  //    UpLeaf = NULL;
+  //  } else { // we are first in list (connects to UpLeaf->DownLeaf)
+  //    if ((NextLeaf != NULL) && (NextLeaf->UpLeaf == NULL))
+  //      NextLeaf->UpLeaf = UpLeaf;  // either null as we are top level or the upleaf of the first node
+  //    if (UpLeaf != NULL)
+  //      UpLeaf->DownLeaf = NextLeaf;  // either null as we are only leaf or NextLeaf if we are just the first
+  //  }
+  //  UpLeaf = NULL;
   if (next != NULL) // are we last in list
     next->previous = previous;