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
Last change
on this file since 437922 was 6ac7ee, checked in by Frederik Heber <heber@…>, 16 years ago |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c
Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...
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Property mode
set to
100755
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File size:
1.7 KB
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Rev | Line | |
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[14de469] | 1 | #include "molecules.hpp"
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| 2 |
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| 3 | /** Prints the tabs according to verbosity stored in the temporary constructed class.
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| 4 | * \param &ost stream to extend with tabs
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| 5 | * \return &ost stream with tabs
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| 6 | */
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| 7 | ostream& Verbose::print (ostream &ost) const
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| 8 | {
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[6ac7ee] | 9 | for (int i=Verbosity;i--;)
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| 10 | ost.put('\t');
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| 11 | //cout << "Verbose(.) called." << endl;
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| 12 | return ost;
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[14de469] | 13 | };
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| 14 |
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| 15 | /** Operator for the Verbose(arg) call.
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| 16 | * Constructs temporary a Verbose class object, wherein the verbosity is stored.
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| 17 | * Then << is called, which calls Verbose's print which adds the tabs and returns the stream.
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| 18 | * \param &ost stream to extend
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| 19 | * \param &m pointer to created Verbose object
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| 20 | * \return &ost
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| 21 | */
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| 22 | ostream& operator<<(ostream& ost,const Verbose& m)
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| 23 | {
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| 24 | return m.print(ost);
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| 25 | };
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| 26 |
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| 27 |
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| 28 | /** Prints the tabs according to verbosity stored in the temporary constructed class.
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| 29 | * Note that highest bit is set artificially to give number of bits to print
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| 30 | * \param &ost stream to extend with tabs
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| 31 | * \return &ost stream with tabs
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| 32 | */
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| 33 | ostream& Binary::print (ostream &ost) const
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| 34 | {
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| 35 | int bits = 1, counter = 1;
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| 36 | while ((bits = 1 << counter) < BinaryNumber)
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[6ac7ee] | 37 | counter++;
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| 38 | for (int i=0;i<counter-1;i++) {
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| 39 | if ((BinaryNumber & (1 << i)) == 0)
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| 40 | ost.put('0');
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[14de469] | 41 | else
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[6ac7ee] | 42 | ost.put('1');
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| 43 | }
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| 44 | ost.put('b');
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| 45 | //cout << "Binary(.) called." << endl;
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| 46 | return ost;
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[14de469] | 47 | };
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| 48 |
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| 49 | /** Operator for the Binary(arg) call.
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| 50 | * Constructs temporary a Verbose class object, wherein the Binary is stored.
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| 51 | * Then << is called, which calls Binary's print which adds the tabs and returns the stream.
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| 52 | * \param &ost stream to extend
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| 53 | * \param &m pointer to created Binary object
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| 54 | * \return &ost
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| 55 | */
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| 56 | ostream& operator<<(ostream& ost,const Binary& m)
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| 57 | {
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| 58 | return m.print(ost);
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| 59 | };
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