本文整理汇总了C++中OBConversion::WriteFile方法的典型用法代码示例。如果您正苦于以下问题：C++ OBConversion::WriteFile方法的具体用法？C++ OBConversion::WriteFile怎么用？C++ OBConversion::WriteFile使用的例子？那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类OBConversion的用法示例。
在下文中一共展示了OBConversion::WriteFile方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: main
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
//.........这里部分代码省略.........