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add getBytes(), test tanimoto

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This commit is contained in:
Greg Landrum
2016-01-01 09:02:17 +01:00
parent 0015f853ac
commit 2e9063964e
3 changed files with 61 additions and 4 deletions
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36
Code/DataStructs/testFPB.cpp
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@@ -10,6 +10,8 @@
#include <RDGeneral/Invariant.h>
#include <RDGeneral/RDLog.h>
#include <RDGeneral/Exceptions.h>
#include <RDGeneral/utils.h>
#include <DataStructs/ExplicitBitVect.h>
#include <DataStructs/FPBReader.h>
@@ -84,10 +86,44 @@ void test1FPBReaderBasics() {
BOOST_LOG(rdInfoLog) << "Finished" << std::endl;
}
void test2FPBReaderTanimoto() {
BOOST_LOG(rdInfoLog)
<< "-----------------------\n Testing FPBReader tanimoto " << std::endl;
std::string pathName = getenv("RDBASE");
pathName += "/Code/DataStructs/testData/";
{
std::string filename = pathName + "zim.head100.fpb";
FPBReader fps(filename);
fps.init();
TEST_ASSERT(fps.length() == 100);
{
boost::uint8_t *bytes = fps.getBytes(0);
TEST_ASSERT(bytes);
TEST_ASSERT(feq(fps.getTanimoto(0, bytes), 1.0));
TEST_ASSERT(feq(fps.getTanimoto(1, bytes), 0.3703));
delete[] bytes;
}
{
boost::uint8_t *bytes = fps.getBytes(1);
TEST_ASSERT(bytes);
TEST_ASSERT(feq(fps.getTanimoto(1, bytes), 1.0));
TEST_ASSERT(feq(fps.getTanimoto(0, bytes), 0.3703));
TEST_ASSERT(feq(fps.getTanimoto(2, bytes), 1.0));
TEST_ASSERT(feq(fps.getTanimoto(5, bytes), 0.2903));
delete[] bytes;
}
}
BOOST_LOG(rdInfoLog) << "Finished" << std::endl;
}
int main() {
RDLog::InitLogs();
test1FPBReaderBasics();
test2FPBReaderTanimoto();
// FIX: test extractBytes()
// FIX: need testing of edge cases
return 0;