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/**********************************************************************
conversion.cpp - Unit tests for Open Babel OBConversion class
Copyright (C) 2005-2006 Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
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/obconversion.h>
#include <stdio.h>
#include <iostream>
using namespace std;
using namespace OpenBabel;
int main(int argc,char *argv[])
{
// turn off slow sync with C-style output (we don't use it anyway).
std::ios::sync_with_stdio(false);
if (argc != 1)
{
cout << "Usage: conversion" << endl;
cout << " Unit tests for OBConversion " << endl;
return(-1);
}
cout << "# Unit tests for OBConversion \n";
// the number of tests for "prove"
cout << "1..9\n";
cout << "ok 1\n"; // for loading tests
OBMol obMol;
OBConversion obConversion;
obConversion.SetInAndOutFormats("smi", "mdl");
cout << "ok 2\n";
obConversion.ReadString(&obMol, "C1=CC=CS1");
cout << "ok 3\n";
if (obMol.NumAtoms() == 5) {
cout << "ok 4\n";
} else {
cout << "not ok 4\n";
}
obMol.AddHydrogens();
if (obMol.NumAtoms() == 9) {
cout << "ok 5\n";
} else {
cout << "not ok 5\n";
}
if ( (obConversion.WriteString(&obMol)).length() > 0)
cout << "ok 6\n";
else
cout << "not ok 6\n";
// PR#1474265
obConversion.WriteFile(&obMol, "test.mdl");
ifstream ifs("test.mdl");
if (ifs.good())
cout << "ok 7\n";
else
cout << "not ok 7\n";
// PR#143577
obConversion.SetInFormat("mdl");
obConversion.ReadFile(&obMol, "test.mdl");
if ( remove("test.mdl") != -1)
cout << "ok 8\n";
else
cout << "not ok 8\n";
// gzip input
// gzip output
// multi-molecule reading
// PR#1465586
// aromatics.smi
// attype.00.smi
//ReadFile()
//Read()
//WriteString()
// GetOutputIndex()
// IsLast
//ReadString()
//IsFirstInput
//Read()
// splitting
// splitting using gzip-input
// PR#1357705
// size 0 input
// PR#1250900
// RegisterFormat
// FindFormat
// FormatFromExt
// FormatFromMIME
// GetNextFormat
// GetDefaultFormat
// BatchFileName
// IncrementedFileName
// option handling
// AddOption
// IsOption
// RemoveOption
// IsOption
// SetOptions
// IsOption
// RegisterOptionParam
// GetOptionParams
// GetInStream
// GetOutStream
// SetInStream
// SetOutStream
// nasty tests
obConversion.ReadString(&obMol, "");
obConversion.Read(&obMol);
cout << "ok 9\n";
return(0);
}
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