ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10557 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
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#ifndef EXTRINSIC_MODEL
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#define EXTRINSIC_MODEL
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// ATC_Transfer headers
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#include "MatrixLibrary.h"
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#include "ATC_TypeDefs.h"
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using namespace std;
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namespace ATC {
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// forward declarations
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class ATC_Transfer;
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class ExtrinsicModel;
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class PhysicsModel;
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/** enumeration for the model types avaiable */
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enum ExtrinsicModelType {
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NO_MODEL=0,
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TWO_TEMPERATURE,
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NUM_MODELS
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};
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/**
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* @class ExtrinsicModelManager
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* @brief Handles parsing and parameter storage extrinsic models
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*/
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//--------------------------------------------------------
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//--------------------------------------------------------
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// Class ExtrinsicModelManager
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//--------------------------------------------------------
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//--------------------------------------------------------
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class ExtrinsicModelManager {
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public:
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// constructor
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ExtrinsicModelManager(ATC_Transfer * atcTransfer);
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// destructor
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~ExtrinsicModelManager();
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/** parser/modifier */
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bool modify(int narg, char **arg);
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/** create_model */
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void create_model(ExtrinsicModelType modelType, string matFileName);
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/** pre time integration */
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void initialize();
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/** set up LAMMPS display variables */
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int size_vector(int intrinsicSize);
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/** get LAMMPS display variables */
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double compute_vector(int n);
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/** post integration run */
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// is this called at end of run or simulation
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void finish();
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// calls during LAMMPS Velocity-Verlet integration
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/** Predictor phase, executed before Verlet */
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void pre_init_integrate(ExtrinsicModelType modelType = NUM_MODELS);
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/** Predictor phase, executed between velocity and position Verlet */
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void mid_init_integrate(ExtrinsicModelType modelType = NUM_MODELS);
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/** Predictor phase, executed after Verlet */
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void post_init_integrate(ExtrinsicModelType modelType = NUM_MODELS);
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/** Corrector phase, executed before Verlet */
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void pre_final_integrate(ExtrinsicModelType modelType = NUM_MODELS);
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/** Corrector phase, executed after Verlet*/
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void post_final_integrate(ExtrinsicModelType modelType = NUM_MODELS);
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/** get source terms for AtC equations */
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void set_sources(FIELDS & fields, FIELDS & sources,
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ExtrinsicModelType modelType = NUM_MODELS);
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/** return output data to main AtC */
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void output(double dt,OUTPUT_LIST & outputData);
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/** model name enum to string */
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static bool model_to_string(const ExtrinsicModelType index, string & name)
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{
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switch (index) {
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case NO_MODEL:
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name = "no_model";
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break;
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case TWO_TEMPERATURE:
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name = "two_temperature";
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break;
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default:
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return false;
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break;
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}
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return true;
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};
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/** string to model enum */
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static bool string_to_model(const string & name, ExtrinsicModelType & index)
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{
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if (name=="no_model")
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index = NO_MODEL;
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else if (name=="two_temperature")
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index = TWO_TEMPERATURE;
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else
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return false;
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return true;
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};
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/** access to ATC transfer object */
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ATC_Transfer * get_atc_transfer() {return atcTransfer_;};
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protected:
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/** associated ATC_Transfer object */
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ATC_Transfer * atcTransfer_;
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/** equation hanlder */
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vector<ExtrinsicModel *> extrinsicModels_;
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private:
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ExtrinsicModelManager(); // DO NOT define this, only use constructor above
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};
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/**
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* @class ExtrinsicModel
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* @brief base class for functionality of all extrinsic models
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*/
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//--------------------------------------------------------
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//--------------------------------------------------------
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// Class ExtrinsicModel
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//--------------------------------------------------------
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//--------------------------------------------------------
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class ExtrinsicModel {
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public:
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// constructor
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ExtrinsicModel(ExtrinsicModelManager * modelManager,
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ExtrinsicModelType modelType,
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string matFileName);
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// destructor
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virtual ~ExtrinsicModel();
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/** parser/modifier */
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virtual bool modify(int narg, char **arg) {return false;};
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/** pre time integration */
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virtual void initialize(){};
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/** set up LAMMPS display variables */
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virtual int size_vector(int externalSize) {return 0;};
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/** get LAMMPS display variables */
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virtual bool compute_vector(int n, double & value) {return false;};
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/** post integration run */
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// is this called at end of run or simulation
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virtual void finish(){};
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/** Predictor phase, executed before Verlet */
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virtual void pre_init_integrate(){};
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/** Predictor phase, executed between velocity and position Verlet */
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virtual void mid_init_integrate(){};
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/** Predictor phase, executed after Verlet */
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virtual void post_init_integrate(){};
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/** Corrector phase, executed before Verlet */
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virtual void pre_final_integrate(){};
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/** Corrector phase, Verlet second step for velocity */
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virtual void final_integrate(){};
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/** Corrector phase, executed after Verlet*/
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virtual void post_final_integrate(){};
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/** Set sources to AtC equation */
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virtual void set_sources(FIELDS & fields, FIELDS & sources){};
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/** Add model-specific output data */
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virtual void output(double dt, OUTPUT_LIST & outputData){};
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/** get the fields and their sizes */
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void get_num_fields(map<FieldName,int> & fieldSizes);
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/** return the type of model being used */
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ExtrinsicModelType get_model_type() {return modelType_;};
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protected:
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ExtrinsicModel(){};
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/** ATC transfer object */
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ATC_Transfer * atc_;
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/** model manager object */
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ExtrinsicModelManager * modelManager_;
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/** tag for model type */
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ExtrinsicModelType modelType_;
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/** list of model fields in this model */
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std::map<FieldName, int> fieldSizes_;
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/** definition for physics used in this model */
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PhysicsModel * physicsModel_;
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/** rhs */
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FIELDS rhs_;
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/** rhs mask for coupling with MD */
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Array2D<bool> rhsMaskIntrinsic_;
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GRAD_FIELDS fluxes_;
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};
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};
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#endif
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