13 #ifndef __ROTBONDEDINTERACTION_H
14 #define __ROTBONDEDINTERACTION_H
42 const std::string &name,
58 const std::string &name,
185 #endif //__BONDEDINTERACTION_H
Class for a rotational particle.
Definition: RotParticle.h:53
Vec3(CRotBondedInteraction::* VectorFieldFunction)() const
Definition: RotBondedInteraction.h:100
bool broken()
Definition: RotBondedInteraction.cpp:226
Abstract base class interactions between 2 rotational particles.
Definition: RotPairInteraction.h:28
Definition: BondedInteractionCpData.h:25
int m_tag
Definition: RotBondedInteraction.h:128
double(CRotBondedInteraction::* ScalarFieldFunction)() const
Definition: RotBondedInteraction.h:98
static VectorFieldFunction getVectorFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:587
virtual void loadRestartData(std::istream &iStream)
Definition: RotBondedInteraction.cpp:721
void calcForces()
Definition: RotBondedInteraction.cpp:358
double max_nForce
Definition: RotBondedInteraction.h:74
double m_kr
spring constant
Definition: RotBondedInteraction.h:108
double ks
Definition: RotBondedInteraction.h:73
Abstract base class for InteractionGroup parameters.
Definition: IGParam.h:28
Vec3 getTangentialForce() const
Definition: RotBondedInteraction.cpp:546
int getTag() const
Definition: RotBondedInteraction.cpp:207
Vec3 m_D
initial positions of the particles
Definition: RotBondedInteraction.h:127
double kt
Definition: RotBondedInteraction.h:73
double getNormalPotentialEnergy() const
Definition: RotBondedInteraction.cpp:514
double m_max_tMoment
Definition: RotBondedInteraction.h:115
bool meanR_scaling
Definition: RotBondedInteraction.h:77
Vec3 getP2ShearForcePt() const
Definition: RotBondedInteraction.cpp:297
double m_kb
Definition: RotBondedInteraction.h:110
CRotBondedInteraction()
Definition: RotBondedInteraction.cpp:130
double m_bMoment
Definition: RotBondedInteraction.h:121
virtual std::string getTypeString() const
Definition: RotBondedInteraction.h:68
double m_kt
Definition: RotBondedInteraction.h:111
double m_ks
Definition: RotBondedInteraction.h:109
double max_bMoment
Definition: RotBondedInteraction.h:74
double max_tMoment
Definition: RotBondedInteraction.h:74
void setTag(int tag)
Definition: RotBondedInteraction.cpp:212
static ScalarFieldFunction getScalarFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:556
Elastic interaction between bonded particles between rotational particles.
Definition: RotBondedInteraction.h:88
double getCriterion() const
Definition: RotBondedInteraction.cpp:272
double kr
Definition: RotBondedInteraction.h:73
virtual void saveCheckPointData(std::ostream &oStream)
Definition: RotBondedInteraction.cpp:620
BondedInteractionCpData CheckPointable
Definition: RotBondedInteraction.h:96
double getShearPotentialEnergy() const
Definition: RotBondedInteraction.cpp:519
double m_max_nForce
Definition: RotBondedInteraction.h:113
CRotBondedIGP()
Definition: RotBondedInteraction.cpp:53
Vec3 m_force
current force, cached for E_pot calculation
Definition: RotBondedInteraction.h:123
Vec3 getContactPoint() const
Definition: RotBondedInteraction.cpp:316
double m_nForce
Definition: RotBondedInteraction.h:118
double m_r0
equilibrium separation
Definition: RotBondedInteraction.h:106
virtual void loadCheckPointData(std::istream &iStream)
Definition: RotBondedInteraction.cpp:625
Vec3 m_moment
Definition: RotBondedInteraction.h:124
bool scaling
Definition: RotBondedInteraction.h:76
double max_shForce
Definition: RotBondedInteraction.h:74
bool m_scaling
Definition: RotBondedInteraction.h:129
friend ostream & operator<<(ostream &, const CRotBondedInteraction &)
Definition: RotBondedInteraction.cpp:743
Interaction parameters for bonded interaction between rotational particles.
Definition: RotBondedInteraction.h:37
double m_shForce
Definition: RotBondedInteraction.h:119
double m_tMoment
Definition: RotBondedInteraction.h:120
Vec3 getNormalForce() const
Definition: RotBondedInteraction.cpp:539
Vec3 getShearDiff() const
Definition: RotBondedInteraction.cpp:307
virtual void saveRestartData(std::ostream &oStream)
Definition: RotBondedInteraction.cpp:696
bool m_meanR_scaling
Definition: RotBondedInteraction.h:130
double getBendPotentialEnergy() const
Definition: RotBondedInteraction.cpp:529
Vec3 m_cpos
Definition: RotBondedInteraction.h:126
int tag
Definition: RotBondedInteraction.h:75
virtual Vec3 getPos() const
Definition: RotBondedInteraction.h:161
Vec3 getInitialMidPoint() const
Definition: RotBondedInteraction.cpp:290
Vec3 getCentrePtDiff() const
Definition: RotBondedInteraction.cpp:285
double m_max_bMoment
Definition: RotBondedInteraction.h:116
Vec3 getP1ShearForcePt() const
Definition: RotBondedInteraction.cpp:302
virtual ~CRotBondedInteraction()
Definition: RotBondedInteraction.cpp:217
static string getType()
Definition: RotBondedInteraction.h:143
double getPotentialEnergy() const
Definition: RotBondedInteraction.cpp:503
double getTwistPotentialEnergy() const
Definition: RotBondedInteraction.cpp:524
double kb
Definition: RotBondedInteraction.h:73
Vec3 getForce() const
Definition: RotBondedInteraction.cpp:534
pair< bool, double >(CRotBondedInteraction::* CheckedScalarFieldFunction)() const
Definition: RotBondedInteraction.h:99
double calc_angle(double, double)
Definition: RotBondedInteraction.cpp:22
double m_truncated
Definition: RotBondedInteraction.h:131
CRotBondedIGP ParameterType
Definition: RotBondedInteraction.h:91
double truncated
Definition: RotBondedInteraction.h:78
static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:610
double m_max_shForce
Definition: RotBondedInteraction.h:114
Vec3 getInitialCentrePtDiff() const
Definition: RotBondedInteraction.cpp:280
double m_dist
current distance, cached from last calcForces()
Definition: RotBondedInteraction.h:105
Abstract base/interface class for packed messages to be used in TML_Pack.
Definition: packed_message_interface.h:28