ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
388
lib/atc/ExtrinsicModel.cpp
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388
lib/atc/ExtrinsicModel.cpp
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// ATC Headers
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#include "ExtrinsicModel.h"
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#include "ExtrinsicModelTwoTemperature.h"
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#include "ExtrinsicModelDriftDiffusion.h"
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#include "ExtrinsicModelElectrostatic.h"
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#include "ATC_Error.h"
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#include "TimeIntegrator.h"
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#include "ATC_Coupling.h"
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#include "LammpsInterface.h"
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#include "PrescribedDataManager.h"
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#include "PhysicsModel.h"
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namespace ATC {
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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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//--------------------------------------------------------
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// Constructor
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//--------------------------------------------------------
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ExtrinsicModelManager::ExtrinsicModelManager(ATC_Coupling * atc) :
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atc_(atc)
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{
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// do nothing
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}
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//--------------------------------------------------------
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// Destructor
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//--------------------------------------------------------
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ExtrinsicModelManager::~ExtrinsicModelManager()
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{
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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delete *(imodel);
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}
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//--------------------------------------------------------
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// modify
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//--------------------------------------------------------
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bool ExtrinsicModelManager::modify(int narg, char **arg)
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{
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bool foundMatch = false;
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// loop over models with command
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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foundMatch = (*imodel)->modify(narg,arg);
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if (foundMatch) break;
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}
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return foundMatch;
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}
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//--------------------------------------------------------
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// create_model
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//--------------------------------------------------------
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void ExtrinsicModelManager::create_model(ExtrinsicModelType modelType,
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string matFileName)
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{
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string typeName;
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bool validModel = model_to_string(modelType,typeName);
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if (!validModel) {
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throw ATC_Error("Could not create extrinsic model");
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return;
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}
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ExtrinsicModel * myModel;
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if (modelType==TWO_TEMPERATURE) {
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stringstream ss;
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ss << "creating two_temperature extrinsic model";
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ATC::LammpsInterface::instance()->print_msg_once(ss.str());
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myModel = new ExtrinsicModelTwoTemperature
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(this,modelType,matFileName);
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}
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else if (modelType==DRIFT_DIFFUSION
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|| modelType==DRIFT_DIFFUSION_EQUILIBRIUM
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|| modelType==DRIFT_DIFFUSION_SCHRODINGER
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|| modelType==DRIFT_DIFFUSION_SCHRODINGER_SLICE)
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{
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stringstream ss;
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ss << "creating drift_diffusion extrinsic model";
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ATC::LammpsInterface::instance()->print_msg_once(ss.str());
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myModel = new ExtrinsicModelDriftDiffusion
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(this,modelType,matFileName);
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}
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else if (modelType==CONVECTIVE_DRIFT_DIFFUSION
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|| modelType==CONVECTIVE_DRIFT_DIFFUSION_EQUILIBRIUM
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|| modelType==CONVECTIVE_DRIFT_DIFFUSION_SCHRODINGER) {
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stringstream ss;
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ss << "creating convective_drift_diffusion extrinsic model";
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ATC::LammpsInterface::instance()->print_msg_once(ss.str());
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myModel = new ExtrinsicModelDriftDiffusionConvection
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(this,modelType,matFileName);
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}
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else if (modelType==ELECTROSTATIC || modelType==ELECTROSTATIC_EQUILIBRIUM) {
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stringstream ss;
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ss << "creating electrostatic extrinsic model";
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ATC::LammpsInterface::instance()->print_msg_once(ss.str());
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myModel = new ExtrinsicModelElectrostaticMomentum
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(this,modelType,matFileName);
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}
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else if (modelType==FEM_EFIELD) {
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stringstream ss;
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ss << "creating fem_efield extrinsic model";
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ATC::LammpsInterface::instance()->print_msg_once(ss.str());
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myModel = new ExtrinsicModelElectrostatic
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(this,modelType,matFileName);
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}
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extrinsicModels_.push_back(myModel);
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// add new fields to fields data
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map<FieldName,int> fieldSizes;
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myModel->num_fields(fieldSizes);
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atc_->add_fields(fieldSizes);
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}
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//--------------------------------------------------------
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// initialize
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//--------------------------------------------------------
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void ExtrinsicModelManager::construct_transfers()
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{
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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// initialize models
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(*imodel)->construct_transfers();
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}
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}
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//--------------------------------------------------------
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// initialize
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//--------------------------------------------------------
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void ExtrinsicModelManager::initialize()
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{
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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// initialize models
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(*imodel)->initialize();
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}
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}
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//--------------------------------------------------------
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// get_model : access to a particular type of model
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//--------------------------------------------------------
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const ExtrinsicModel * ExtrinsicModelManager::model(const ExtrinsicModelType type) const {
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vector<ExtrinsicModel *>::const_iterator imodel;
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++) {
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if ((*imodel)->model_type()==type) return *imodel;
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}
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return NULL;
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}
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//--------------------------------------------------------
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// size_vector
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//--------------------------------------------------------
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int ExtrinsicModelManager::size_vector(int intrinsicSize)
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{
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int extrinsicSize = 0;
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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// query all models for LAMMPS display
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int currentSize = intrinsicSize + extrinsicSize;
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extrinsicSize += (*imodel)->size_vector(currentSize);
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}
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return extrinsicSize;
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}
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//--------------------------------------------------------
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// compute_scalar
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//--------------------------------------------------------
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double ExtrinsicModelManager::compute_scalar(void)
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{
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double value = 0.;
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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value += (*imodel)->compute_scalar(); // sum
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}
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return value;
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}
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//--------------------------------------------------------
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// compute_vector
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//--------------------------------------------------------
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double ExtrinsicModelManager::compute_vector(int n)
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{
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double value = 0.;
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin();
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imodel!=extrinsicModels_.end(); imodel++) {
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// query all models for LAMMPS display
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if ((*imodel)->compute_vector(n,value))
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break;
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}
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return value;
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}
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//--------------------------------------------------------
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// finish
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//--------------------------------------------------------
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void ExtrinsicModelManager::finish()
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{
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// do nothing
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}
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//--------------------------------------------------------
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// pre_init_integrate
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//--------------------------------------------------------
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void ExtrinsicModelManager::pre_init_integrate(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->pre_init_integrate();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->pre_init_integrate();
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}
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}
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//--------------------------------------------------------
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// mid_init_integrate
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//--------------------------------------------------------
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void ExtrinsicModelManager::mid_init_integrate(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->mid_init_integrate();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->mid_init_integrate();
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}
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}
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//--------------------------------------------------------
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// post_init_integrate
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//--------------------------------------------------------
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void ExtrinsicModelManager::post_init_integrate(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->post_init_integrate();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->post_init_integrate();
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}
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}
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//--------------------------------------------------------
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// post_force
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//--------------------------------------------------------
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void ExtrinsicModelManager::post_force(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->post_force();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->post_force();
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}
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}
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//--------------------------------------------------------
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// pre_final_integrate
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//--------------------------------------------------------
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void ExtrinsicModelManager::pre_final_integrate(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->pre_final_integrate();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->pre_final_integrate();
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}
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}
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//--------------------------------------------------------
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// post_final_integrate
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//--------------------------------------------------------
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void ExtrinsicModelManager::post_final_integrate(ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->post_final_integrate();
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->post_final_integrate();
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}
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}
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//--------------------------------------------------------
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// set_sources
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//--------------------------------------------------------
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void ExtrinsicModelManager::set_sources(FIELDS & fields, FIELDS & sources, ExtrinsicModelType modelType)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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if (modelType == NUM_MODELS) {// execute all the models
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->set_sources(fields,sources);
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}
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else { // execute only requested type of model
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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if ((*imodel)->model_type() == modelType)
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(*imodel)->set_sources(fields,sources);
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}
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}
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//--------------------------------------------------------
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// output
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//--------------------------------------------------------
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void ExtrinsicModelManager::output(OUTPUT_LIST & outputData)
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{
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vector<ExtrinsicModel *>::iterator imodel;
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for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
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(*imodel)->output(outputData);
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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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//--------------------------------------------------------
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// Constructor
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//--------------------------------------------------------
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ExtrinsicModel::ExtrinsicModel(ExtrinsicModelManager * modelManager,
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ExtrinsicModelType modelType,
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string matFileName) :
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atc_(modelManager->atc()),
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modelManager_(modelManager),
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modelType_(modelType),
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physicsModel_(NULL)
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{
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rhsMaskIntrinsic_.reset(NUM_FIELDS,NUM_FLUX);
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rhsMaskIntrinsic_ = false;
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}
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//--------------------------------------------------------
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// Destructor
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//--------------------------------------------------------
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ExtrinsicModel::~ExtrinsicModel()
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{
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if (physicsModel_) delete physicsModel_;
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}
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//--------------------------------------------------------
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// initialize
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//--------------------------------------------------------
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void ExtrinsicModel::initialize(void)
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{
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physicsModel_->initialize();
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}
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//--------------------------------------------------------
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// get_num_fields
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// - sets dict of fields
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//--------------------------------------------------------
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void ExtrinsicModel::num_fields(map<FieldName,int> & fieldSizes)
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{
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physicsModel_->num_fields(fieldSizes,atc_->fieldMask_);
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}
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};
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