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 aec098 was 0aa122, checked in by Frederik Heber <heber@…>, 13 years ago |
Updated all source files's copyright note to current year 2012.
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Property mode
set to
100644
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File size:
1.1 KB
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Rev | Line | |
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[bcf653] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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[bcf653] | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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[fa649a] | 8 | /** \file config.cpp
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| 9 | *
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| 10 | * Function implementations for the class config.
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| 11 | *
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| 12 | */
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| 13 |
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[bf3817] | 14 | // include config.h
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| 15 | #ifdef HAVE_CONFIG_H
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| 16 | #include <config.h>
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| 17 | #endif
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| 18 |
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[ad011c] | 19 | #include "CodePatterns/MemDebug.hpp"
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[112b09] | 20 |
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[49e1ae] | 21 | #include <cstring>
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[568be7] | 22 |
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[129204] | 23 | #include "config.hpp"
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[41a467] | 24 |
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| 25 | #include "Helpers/defs.hpp"
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[fa649a] | 26 |
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| 27 | /************************************* Functions for class config ***************************/
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| 28 |
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| 29 | /** Constructor for config file class.
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| 30 | */
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[97b825] | 31 | config::config() :
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| 32 | databasepath(NULL),
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| 33 | defaultpath(NULL),
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[41a467] | 34 | FastParsing(false),
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[97b825] | 35 | IsAngstroem(1),
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[41a467] | 36 | Deltat(0.01)
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[97b825] | 37 | {
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[920c70] | 38 | defaultpath = new char[MAXSTRINGSIZE];
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| 39 | databasepath = new char[MAXSTRINGSIZE];
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[41a467] | 40 | strncpy(defaultpath,"not specified", MAXSTRINGSIZE);
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[fa649a] | 41 | };
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| 42 |
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| 43 | /** Destructor for config file class.
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| 44 | */
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| 45 | config::~config()
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| 46 | {
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[920c70] | 47 | delete[](defaultpath);
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| 48 | delete[](databasepath);
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[fa649a] | 49 | };
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| 50 |
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| 51 | /** Returns private config::IsAngstroem.
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| 52 | * \return IsAngstroem
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| 53 | */
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| 54 | bool config::GetIsAngstroem() const
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| 55 | {
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| 56 | return (IsAngstroem == 1);
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| 57 | };
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| 58 |
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