Changeset 042f82 for src/atom.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/atom.cpp (modified) (6 diffs)

src/atom.cpp

@@ -13 +13 @@
 atom::atom()
 {
-        Name = NULL;
-        previous = NULL;
-        next = NULL;
-        father = this;  // generally, father is itself
-        Ancestor = NULL;
-        type = NULL;
-        sort = NULL;
-        FixedIon = 0;
-        nr = -1;
-        GraphNr = -1;
-        ComponentNr = NULL;
-        IsCyclic = false;
-        SeparationVertex = false;
-        LowpointNr = -1;
-        AdaptiveOrder = 0;
-        MaxOrder = false;
+  Name = NULL;
+  previous = NULL;
+  next = NULL;
+  father = this;  // generally, father is itself
+  Ancestor = NULL;
+  type = NULL;
+  sort = NULL;
+  FixedIon = 0;
+  nr = -1;
+  GraphNr = -1;
+  ComponentNr = NULL;
+  IsCyclic = false;
+  SeparationVertex = false;
+  LowpointNr = -1;
+  AdaptiveOrder = 0;
+  MaxOrder = false;
 };
 
@@ -35 +35 @@
 atom::~atom()
 {
-        Free((void **)&Name, "atom::~atom: *Name");
-        Free((void **)&ComponentNr, "atom::~atom: *ComponentNr");
+  Free((void **)&Name, "atom::~atom: *Name");
+  Free((void **)&ComponentNr, "atom::~atom: *ComponentNr");
 };
 
@@ -45 +45 @@
 atom *atom::GetTrueFather()
 {
-        atom *walker = this;
-        do {
-                if (walker == walker->father) // top most father is the one that points on itself
-                        break;
-                walker = walker->father;
-        } while (walker != NULL);
-        return walker;
+  atom *walker = this;
+  do {
+    if (walker == walker->father) // top most father is the one that points on itself
+      break;
+    walker = walker->father;
+  } while (walker != NULL);
+  return walker;
 };
 
@@ -62 +62 @@
 bool atom::Output(int ElementNo, int AtomNo, ofstream *out, const char *comment) const
 {
-        if (out != NULL) {
-                *out << "Ion_Type" << ElementNo << "_" << AtomNo << "\t"        << fixed << setprecision(9) << showpoint;
-                *out << x.x[0] << "\t" << x.x[1] << "\t" << x.x[2];
-                *out << "\t" << FixedIon;
-                if (v.Norm() > MYEPSILON)
-                        *out << "\t" << scientific << setprecision(6) << v.x[0] << "\t" << v.x[1] << "\t" << v.x[2] << "\t";
-                if (comment != NULL)
-                  *out << " # " << comment << endl;
-                else
-                  *out << " # molecule nr " << nr << endl;
-                return true;
-        } else
-                return false;
+  if (out != NULL) {
+    *out << "Ion_Type" << ElementNo << "_" << AtomNo << "\t"  << fixed << setprecision(9) << showpoint;
+    *out << x.x[0] << "\t" << x.x[1] << "\t" << x.x[2];
+    *out << "\t" << FixedIon;
+    if (v.Norm() > MYEPSILON)
+      *out << "\t" << scientific << setprecision(6) << v.x[0] << "\t" << v.x[1] << "\t" << v.x[2] << "\t";
+    if (comment != NULL)
+      *out << " # " << comment << endl;
+    else
+      *out << " # molecule nr " << nr << endl;
+    return true;
+  } else
+    return false;
 };
 
@@ -82 +82 @@
 bool atom::OutputXYZLine(ofstream *out) const
 {
-        if (out != NULL) {
-                *out << type->symbol << "\t" << x.x[0] << "\t" << x.x[1] << "\t" << x.x[2] << "\t" << endl;
-                return true;
-        } else
-                return false;
+  if (out != NULL) {
+    *out << type->symbol << "\t" << x.x[0] << "\t" << x.x[1] << "\t" << x.x[2] << "\t" << endl;
+    return true;
+  } else
+    return false;
 };
 
 ostream & operator << (ostream &ost, atom &a)
 {
-        ost << "[" << a.Name << "|" << &a << "]";
-        return ost;
+  ost << "[" << a.Name << "|" << &a << "]";
+  return ost;
 };
 
@@ -101 +101 @@
 bool atom::Compare(atom &ptr)
 {
-        if (nr < ptr.nr)
-                return true;
-        else
-                return false;
+  if (nr < ptr.nr)
+    return true;
+  else
+    return false;
 };
 
 bool operator < (atom &a, atom &b)
 {
-        return a.Compare(b);
+  return a.Compare(b);
 };