/////////////////////////////////////////////////////////////////////////////////////////////////////
//
//	FileName:	frac.cpp
//	Author	:	Michael Y. Polyakov
//	email	:	myp@andrew.cmu.edu	or  mikepolyakov@hotmail.com
//	Website	:	www.angelfire.com/linux/myp
//	Date	:	7/30/2002	
//
//	This program converts between fractional and orthonormal coordinates using FracOrth class.
//////////////////////////////////////////////////////////////////////////////////////////////////////

#include <iostream.h>
#include <math.h>
#include "FracOrth.h"

void DisplayMatrix(float* m)
{
	for(int i=0; i < 3; i++){
		for(int j=0; j < 3; j++)
			cout <<m[3*i + j] <<"\t\t";
		cout <<endl;
	}
}

void main()
{
	char choice;
	float p[3];
	//dimensions of a unit cell
	float a, b, c;
	float alpha, beta, gamma;
	
	cout <<"Enter a,b,c: ";
	cin >>a >>b >>c;
	cout <<"Enter alpha, beta, gamma in degrees: ";
	cin >>alpha >>beta >>gamma;
	
	FracOrth fo(a,b,c,alpha,beta,gamma);

	//display info
	cout <<endl <<endl <<"Transformation Matrix from p' into p is: " <<endl <<endl;
	DisplayMatrix(fo.GetFracToOrthM());

	cout <<endl <<endl <<"Inverse Transformation Matrix from p into p' is: " <<endl <<endl;
	DisplayMatrix(fo.GetOrthToFracM());
	cout <<endl <<endl;
	cout <<"Volume of a unit cell is: " <<fo.GetVolume() <<endl <<endl;
	
	
	while(choice != 'q') {
		cout <<endl <<endl <<"Choose one: (o - convert from fractional to orthonormal, \n f - convert from orthonormal to fractional,\n"; 
		cout <<" m - display fractional to orthonormal matrix, \n i - display orthonormal to fractional matrix,\n";
		cout <<" v - display volume of a unit cell, \n d - display dimensions, \nq - quit the program ) : ";
		cin >> choice;

		switch(choice) {
			case 'o':
				cout <<endl <<"Enter p' in fractional coordinates: ";
				cin >>p[0] >>p[1] >>p[2];
				//converting from p' into p
				fo.FracToOrth(p[0], p[1], p[2]);
				cout <<"p' in orthonormal coordinates is: p = { " <<p[0] <<"  " <<p[1] <<"  " <<p[2] <<" }" 
						<<endl <<endl <<endl;
				break;
			case 'f':
				cout <<endl <<"Enter p in orthonormal coordinates: ";
				cin >>p[0] >>p[1] >>p[2];
				//converting from p' into p
				fo.OrthToFrac(p[0], p[1], p[2]);
				cout <<"p in orthonormal coordinates is: p' = { " <<p[0] <<"  " <<p[1] <<"  " <<p[2] <<" }" 
						<<endl <<endl <<endl;
				break;
			case 'm': cout <<endl <<"Transformation Matrix from p into p' is: " 
						<<endl <<endl; DisplayMatrix(fo.GetOrthToFracM()); cout <<endl <<endl;
						break;
			case 'i': cout <<endl <<"Transformation Matrix from p' into p is: " 
						<<endl <<endl; DisplayMatrix(fo.GetFracToOrthM()); cout <<endl <<endl;
						break;
			case 'v': cout <<endl <<"Volume of a unit cell is: " <<fo.GetVolume() <<endl <<endl; break;
			case 'd': cout <<endl <<"(a,b,c,alpha,beta,gamma) = ( ";
					  cout <<a <<' ' <<b <<' ' <<c <<' ' <<alpha <<' ' <<beta <<' ' <<gamma <<" )";
					  cout <<endl <<endl; break;
			default: break; 
		}//end switch
	}	//end while loop			
}