PAPRECA hybrid off-lattice kMC/MD simulator  2.0.0 (17 September 2024)
PAPRECA::Deposition Class Reference

Child of PAPRECA::Event dedicated to monoatomic or molecular adsorption. More...

#include <event.h>

Inheritance diagram for PAPRECA::Deposition:
Collaboration diagram for PAPRECA::Deposition:

Public Member Functions

 Deposition (const double &rate_in, const double site_pos_in[3], const double rot_pos_in[3], const double &rot_theta_in, const int &mol_id_in, const std::string &mol_name_in, PredefinedDeposition *depo_template_in)
 
 ~Deposition ()
 
double * getSitePos ()
 
double * getRotPos ()
 
const double & getRotTheta () const
 
const int & getMolId () const
 
const std::string & getMolName () const
 
PredefinedDepositiongetDepoTemplate ()
 
- Public Member Functions inherited from PAPRECA::Event
 Event ()
 
 Event (const double &rate_in, const std::string &type_in)
 
virtual ~Event ()
 
void assignRate (const double &rate_in)
 
void assignType (const std::string &type_in)
 
const double & getRate () const
 
void setRate (const double &rate_in)
 
const std::string & getType () const
 

Protected Attributes

double site_pos [3]
 
double rot_pos [3]
 
double rot_theta
 
int mol_id
 
std::string mol_name = "NONE"
 
- Protected Attributes inherited from PAPRECA::Event
double rate
 
std::string type
 

Private Attributes

PredefinedDepositiondepo_template = NULL
 

Additional Inherited Members

- Static Public Member Functions inherited from PAPRECA::Event
static void fillRatesArr (double *event_rates, const std::vector< Event * > &events)
 
static void fillRatesVec (std::vector< double > &event_rates, const std::vector< Event * > &events)
 
static std::vector< double > getRatesVec (const std::vector< Event * > &events)
 
static double getSumOfRates (const std::vector< Event * > &events)
 
static void deleteAndClearLocalEvents (LAMMPS_NS::LAMMPS *lmp, std::vector< Event * > &events_local)
 

Detailed Description

Child of PAPRECA::Event dedicated to monoatomic or molecular adsorption.

Constructor & Destructor Documentation

◆ Deposition()

PAPRECA::Deposition::Deposition ( const double &  rate_in,
const double  site_pos_in[3],
const double  rot_pos_in[3],
const double &  rot_theta_in,
const int &  mol_id_in,
const std::string &  mol_name_in,
PredefinedDeposition depo_template_in 
)

◆ ~Deposition()

PAPRECA::Deposition::~Deposition ( )

Member Function Documentation

◆ getDepoTemplate()

PredefinedDeposition * PAPRECA::Deposition::getDepoTemplate ( )

◆ getMolId()

const int & PAPRECA::Deposition::getMolId ( ) const

◆ getMolName()

const std::string & PAPRECA::Deposition::getMolName ( ) const

◆ getRotPos()

double * PAPRECA::Deposition::getRotPos ( )

◆ getRotTheta()

const double & PAPRECA::Deposition::getRotTheta ( ) const

◆ getSitePos()

double * PAPRECA::Deposition::getSitePos ( )

Member Data Documentation

◆ depo_template

PredefinedDeposition* PAPRECA::Deposition::depo_template = NULL
private

◆ mol_id

int PAPRECA::Deposition::mol_id
protected

◆ mol_name

std::string PAPRECA::Deposition::mol_name = "NONE"
protected

◆ rot_pos

double PAPRECA::Deposition::rot_pos[3]
protected

◆ rot_theta

double PAPRECA::Deposition::rot_theta
protected

◆ site_pos

double PAPRECA::Deposition::site_pos[3]
protected

The documentation for this class was generated from the following files: