Strain_Tensor_List.h

#ifndef QNANO_NEW_STRAIN_TENSOR_CALCULATOR_DEFINED_H
#define QNANO_NEW_STRAIN_TENSOR_CALCULATOR_DEFINED_H

#include "tools/Tensor2.h" 
#include "structure/Sample.h"

class Strain_Tensor_List: public List_Class<Tensor2d>{
public:

  Atom_List atlist_welldefined;
  virtual void resize(size_t i){
    list.resize(i);
    atlist_welldefined.resize(i);
  }
  virtual void push_back(const Tensor2d &value, const Atom &atom=Atom() ) { 
    list.push_back(value);
    atlist_welldefined.push_back(atom);
  }
  virtual void clear(){
    list.clear(); 
    atlist_welldefined.clear();
  }
  virtual void reserve(size_t i){
    list.reserve(i);
    atlist_welldefined.reserve(i);
  }

  


  void invert3by3(Tensor2d &R0, Tensor2d &invR0)const;
  void setup(const Sample &sample);
  void setup(Parameter_Map &param_map){
    Sample sample(param_map);
    setup(sample);
  }      
  Strain_Tensor_List(){}
  Strain_Tensor_List(Parameter_Map &param_map){
    setup(param_map);
  }
  Strain_Tensor_List(const Sample &sample){
    setup(sample);
  }
 
};

#endif