/**********************************************************************
atom.cpp - Unit tests for Open Babel OBAtom class

Copyright (C) 2005-2006 Geoffrey R. Hutchison
 
This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>

This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.
 
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
***********************************************************************/

// used to set import/export for Cygwin DLLs
#ifdef WIN32
#define USING_OBDLL
#endif

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/obconversion.h>

#include <cstdio>
#include <iostream>

using namespace std;
using namespace OpenBabel;

int atom(int argc, char* argv[])
{
  int defaultchoice = 1;
  
  int choice = defaultchoice;

  if (argc > 1) {
    if(sscanf(argv[1], "%d", &choice) != 1) {
      printf("Couldn't parse that input as a number\n");
      return -1;
    }
  }
  cout << "# Unit tests for OBAtom \n";

  double *coordPtr;

  OBAtom emptyAtom, testAtom1, testAtom2;

  switch(choice) {
  case 1:
    break;
  case 2:
    // OBAtom isolation tests (no connection to residue, bond, molecule...)

    // Beat up on SetIdx
    testAtom1.SetIdx(0);
    cout <<  testAtom1.GetIdx() << "\n";
    testAtom1.SetIdx(-1);
    cout <<  testAtom1.GetIdx() << "\n";
    testAtom1.SetIdx(1);
    cout <<  "ok 3\n";
    break;
  case 3:
    // Beat up on atomic number
    testAtom1.SetAtomicNum(0);
    cout <<  testAtom1.GetAtomicNum() << "\n";
    testAtom1.SetAtomicNum(-1);
    cout <<  testAtom1.GetAtomicNum() << "\n";
    testAtom1.SetAtomicNum(200);
    cout <<  testAtom1.GetAtomicNum() << "\n";
    testAtom1.SetAtomicNum(300);
    cout <<  testAtom1.GetAtomicNum() << "\n";
    testAtom1.SetAtomicNum(1);
    cout <<  "ok 4\n";
    break;
  case 4:
    // PR#1373650
    coordPtr = testAtom1.GetCoordinate();
    cout <<  "ok 5\n";
    testAtom1.SetCoordPtr(&coordPtr);
    cout <<  "ok 6\n";
    break;
  default:
    cout << "Test number " << choice << " does not exist!\n";
    return -1;
  }

  return(0);
}

