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handle more permissive mol file parser

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This commit is contained in:
Greg Landrum
2006-09-19 20:17:24 +00:00
parent 6615ae5a01
commit 034fb70865
1 changed files with 7 additions and 24 deletions
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31
Code/GraphMol/FileParsers/testMolSupplier.cpp
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@@ -939,21 +939,14 @@ void testSDErrorHandling() {
std::string rdbase = getenv("RDBASE");
std::string fname = rdbase + "/Code/GraphMol/FileParsers/test_data/sdErrors1.sdf";
SDMolSupplier *sdsup;
ROMol *nmol=0;
bool ok=false;
// entry 1: bad properties
sdsup = new SDMolSupplier(fname);
TEST_ASSERT(!sdsup->atEnd());
try {
nmol = sdsup->next();
ok=false;
} catch (FileParseException){
ok=true;
}
TEST_ASSERT(ok);
TEST_ASSERT(!nmol);
nmol = sdsup->next();
TEST_ASSERT(nmol);
TEST_ASSERT(!nmol->hasProp("ID"));
delete sdsup;
// case 2: can't be sanitized
@@ -969,13 +962,8 @@ void testSDErrorHandling() {
fname = rdbase + "/Code/GraphMol/FileParsers/test_data/sdErrors3.sdf";
sdsup = new SDMolSupplier(fname);
TEST_ASSERT(!sdsup->atEnd());
try {
nmol = sdsup->next();
ok=false;
} catch (FileParseException){
ok=true;
}
TEST_ASSERT(ok);
nmol = sdsup->next();
TEST_ASSERT(!nmol);
TEST_ASSERT(sdsup->atEnd());
delete sdsup;
@@ -983,13 +971,8 @@ void testSDErrorHandling() {
fname = rdbase + "/Code/GraphMol/FileParsers/test_data/sdErrors4.sdf";
sdsup = new SDMolSupplier(fname);
TEST_ASSERT(!sdsup->atEnd());
try {
nmol = sdsup->next();
ok=false;
} catch (FileParseException){
ok=true;
}
TEST_ASSERT(ok);
nmol = sdsup->next();
TEST_ASSERT(!nmol);
TEST_ASSERT(sdsup->atEnd());
delete sdsup;
}