Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 3fb9ab was 305e7e, checked in by Frederik Heber <heber@…>, 14 years ago |
|
FIX: Type is actually spelled type with TREMOLO.
- corrected in TremoloParser.
- TESTFIX: the following tests has to be changed accordingly:
|
-
Property mode
set to
100644
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File size:
599 bytes
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| Line | |
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| 1 | /*
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| 2 | * TremoloKey.hpp
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| 3 | *
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| 4 | * Created on: Dec 7, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef TREMOLOKEY_HPP_
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| 9 | #define TREMOLOKEY_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | /**
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| 18 | * Known keys for the ATOMDATA line.
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| 19 | */
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| 20 | class TremoloKey {
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| 21 | public:
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| 22 | enum atomDataKey {
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| 23 | noKey,
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| 24 | x,
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| 25 | u,
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| 26 | F,
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| 27 | stress,
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| 28 | Id,
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| 29 | neighbors,
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| 30 | imprData,
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| 31 | GroupMeasureTypeNo,
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| 32 | type,
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| 33 | extType,
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| 34 | name,
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| 35 | resName,
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| 36 | chainID,
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| 37 | resSeq,
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| 38 | occupancy,
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| 39 | tempFactor,
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| 40 | segID,
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| 41 | Charge,
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| 42 | charge,
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| 43 | GrpTypeNo,
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| 44 | torsion
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| 45 | };
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| 46 | };
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| 47 |
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| 48 |
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| 49 | #endif /* TREMOLOKEY_HPP_ */
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|---|
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