pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-05 22:04:27 +08:00
Code Issues Packages Projects Releases Wiki Activity

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

Browse Source 
* Deprecation: planned removal of .message() and .getMessage() methods

* Deprecation: planned removal of old MolHash code

* document deprecations

* output the diffs when the psql tests fail

* remove .message() from SWIG wrappers

note that the KeyError doesn't work properly. We should clean up the the exceptions here anyway

* typo
This commit is contained in:
Greg Landrum
2020-04-01 14:30:07 +02:00
committed by GitHub
parent cf031c2f7e
commit 5712176605
126 changed files with 1172 additions and 22492 deletions
Download Patch File Download Diff File Expand all files Collapse all files

23
Code/DataStructs/testDatastructs.cpp
View File

@@ -220,7 +220,7 @@ void test1DiscreteVect() {
try {
vect1.setVal(28, 2);
} catch (ValueErrorException &dexp) {
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.message() << "\n";
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.what() << "\n";
}
// all these tests should fail if unsigned int changes from being
@@ -237,7 +237,7 @@ void test1DiscreteVect() {
try {
vect2.setVal(28, 10);
} catch (ValueErrorException &dexp) {
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.message() << "\n";
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.what() << "\n";
}
DiscreteValueVect vect4(DiscreteValueVect::FOURBITVALUE, 30);
@@ -252,7 +252,7 @@ void test1DiscreteVect() {
try {
vect4.setVal(28, 16);
} catch (ValueErrorException &dexp) {
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.message() << "\n";
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.what() << "\n";
}
DiscreteValueVect vect8(DiscreteValueVect::EIGHTBITVALUE, 32);
@@ -267,7 +267,7 @@ void test1DiscreteVect() {
try {
vect8.setVal(28, 257);
} catch (ValueErrorException &dexp) {
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.message() << "\n";
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.what() << "\n";
}
DiscreteValueVect vect16(DiscreteValueVect::SIXTEENBITVALUE, 300);
@@ -284,7 +284,7 @@ void test1DiscreteVect() {
try {
vect16.setVal(28, 65536);
} catch (ValueErrorException &dexp) {
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.message() << "\n";
BOOST_LOG(rdInfoLog) << "Expected failure: " << dexp.what() << "\n";
}
}
@@ -1403,22 +1403,20 @@ void test15BitmapOps() {
void test16BitVectProps() {
ExplicitBitVect bv(32);
for(int i=0;i<32;i+=2){
for (int i = 0; i < 32; i += 2) {
bv.setBit(i);
}
ExplicitBitVect bv2(bv.toString());
TEST_ASSERT(bv == bv2);
Dict d;
d.setVal<ExplicitBitVect>("exp", bv);
RDValue &value = d.getData()[0].val;
DataStructsExplicitBitVecPropHandler bv_handler;
std::vector<CustomPropHandler*> handlers = {&bv_handler,
bv_handler.clone()};
for(auto handler: handlers)
{
std::vector<CustomPropHandler *> handlers = {&bv_handler, bv_handler.clone()};
for (auto handler : handlers) {
TEST_ASSERT(handler->canSerialize(value));
RDValue bad_value = 1;
TEST_ASSERT(!handler->canSerialize(bad_value));
@@ -1431,7 +1429,6 @@ void test16BitVectProps() {
delete handlers[1];
}
int main() {
RDLog::InitLogs();
try {