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/**********************************************************************
Copyright (C) 2000 by Geoffrey Hutchison
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.
***********************************************************************/
#ifdef WIN32
#pragma warning (disable : 4786)
#endif
#include "fileformat.h"
#include "mol.h"
using namespace std;
namespace OpenBabel {
bool OBFileFormat::ReadMolecule(istream &ifs, OBMol &mol, char *title)
{
switch(mol.GetInputType())
{
case ALCHEMY: ReadAlchemy(ifs,mol,title); break;
case BALLSTICK: ReadBallAndStick(ifs,mol,title);break;
case BIOSYM: ReadBiosymCAR(ifs,mol,title); break;
case BOX: ReadBox(ifs,mol,title); break;
case CACAO: ReadCaccrt(ifs,mol,title); break;
case CCC: ReadCCC(ifs,mol,title); break;
case CHEM3D1: ReadChem3d1(ifs,mol,title); break;
case CHEM3D2: ReadChem3d2(ifs,mol,title); break;
case CML: ReadCML(ifs,mol,title); break;
case DMOL: ReadDMol(ifs,mol,title); break;
case FEATURE: ReadFeat(ifs,mol,title); break;
case GAMESSOUT: ReadGAMESS(ifs,mol,title); break;
case GHEMICAL: ReadGhemical(ifs,mol,title); break;
case HIN: ReadHIN(ifs,mol,title); break;
case NWCHEMOUT: ReadNWChem(ifs, mol, title); break;
case MMD: ReadMacroModel(ifs,mol,title); break;
case MMADS: ReadMmads(ifs,mol,title); break;
case MOL2: ReadMol2(ifs,mol,title); break;
case MOPACOUT: ReadMOPAC(ifs,mol,title); break;
case MOPACCART: ReadMOPACCartesian(ifs,mol,title);break;
case MPQC: ReadMPQC(ifs,mol,title); break;
case OEBINARY: ReadBinary(ifs,mol); break;
case PDB: ReadPDB(ifs,mol,title); break;
case PREP: ReadAmberPrep(ifs,mol,title); break;
case JAGUAROUT: ReadJaguar(ifs,mol,title); break;
case QCHEMOUT: ReadQChem(ifs,mol,title); break;
case SDF: ReadSDFile(ifs,mol,title); break;
case SMI: ReadSmiles(ifs,mol,title); break;
case UNICHEM: ReadUnichem(ifs,mol,title); break;
case VIEWMOL: ReadViewMol(ifs,mol,title); break;
case XYZ: ReadXYZ(ifs,mol,title); break;
default:
ThrowError("Input type not defined");
}
return((ifs) ? true : false);
}
bool OBFileFormat::WriteMolecule(ostream &ofs,OBMol &mol,
char *dimension, char *options)
{
switch(mol.GetOutputType())
{
case ALCHEMY: WriteAlchemy(ofs,mol); break;
case BALLSTICK: WriteBallAndStick(ofs,mol); break;
case BGF: WriteBGF(ofs,mol); break;
case CACAO: WriteCaccrt(ofs,mol); break;
case CACAOINT: WriteCacaoInternal(ofs,mol); break;
case CACHE: WriteCache(ofs,mol); break;
case CHEMDRAW: WriteChemDraw(ofs,mol); break;
case CHEM3D1: WriteChem3d1(ofs,mol); break;
case CHEM3D2: WriteChem3d2(ofs,mol); break;
case CML: WriteCML(ofs,mol,dimension, options);break;
case CSR: WriteCSR(ofs,mol); break;
case CSSR: WriteCSSR(ofs,mol); break;
case DMOL: WriteDMol(ofs,mol); break;
case DELPDB: WriteDelphiPDB(ofs,mol); break;
case FEATURE: WriteFeat(ofs,mol); break;
case FH: WriteFenskeZmat(ofs,mol); break;
case FIX: WriteFixFile(ofs,mol); break;
case GAMESSIN: WriteGAMESS(ofs,mol); break;
case GHEMICAL: WriteGhemical(ofs,mol); break;
case GROMOS96A: WriteGromos96A(ofs,mol); break;
case GROMOS96N: WriteGromos96N(ofs,mol); break;
case GAUSSIANCART:WriteGaussianCart(ofs,mol); break;
case HIN: WriteHIN(ofs,mol); break;
case JAGUARIN: WriteJaguar(ofs,mol); break;
case OEBINARY: WriteBinary(ofs,mol); break;
case NWCHEMIN: WriteNWChem(ofs, mol); break;
case MMD: WriteMacroModel(ofs,mol); break;
case MMADS: WriteMmads(ofs,mol); break;
case MOL2: WriteMol2(ofs,mol,dimension); break;
case MOPACCART: WriteMOPACCartesian(ofs,mol); break;
case PDB: WritePDB(ofs,mol); break;
case QCHEMIN: WriteQChem(ofs,mol); break;
case REPORT: WriteReport(ofs,mol); break;
case SDF: WriteSDFile(ofs,mol,dimension); break;
case SMI: WriteSmiles(ofs,mol); break;
case TINKER: WriteTinker(ofs,mol); break;
case TITLE: WriteTitles(ofs,mol); break;
case UNICHEM: WriteUnichem(ofs,mol); break;
case VIEWMOL: WriteViewMol(ofs,mol); break;
case XED: WriteXED(ofs,mol); break;
case XYZ: WriteXYZ(ofs,mol); break;
default:
ThrowError("Output type not defined");
}
return((ofs) ? true : false);
}
}
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