run tests in build dir

CMakeLists.txt

@@ -457,12 +457,10 @@ if(CIFPP_BUILD_TESTS)
 
 
 		add_custom_command(
 		add_custom_command(
 			OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch
 			OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch
-			COMMAND $<TARGET_FILE:${CIFPP_TEST}>
-			WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/test)
+			COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${PROJECT_SOURCE_DIR}/test)
 
 
 		add_test(NAME ${CIFPP_TEST}
 		add_test(NAME ${CIFPP_TEST}
-			COMMAND $<TARGET_FILE:${CIFPP_TEST}>
-			WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/test)
+			COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${PROJECT_SOURCE_DIR}/test)
 
 
 	endforeach()
 	endforeach()
 endif()
 endif()

src/Compound.cpp

@@ -270,7 +270,11 @@ class CompoundFactoryImpl : public std::enable_shared_from_this<CompoundFactoryI
 
 
 	CompoundFactoryImpl(const std::string &file, std::shared_ptr<CompoundFactoryImpl> next);
 	CompoundFactoryImpl(const std::string &file, std::shared_ptr<CompoundFactoryImpl> next);
 
 
-	virtual ~CompoundFactoryImpl() = default;
+	virtual ~CompoundFactoryImpl()
+	{
+		for (auto c: mCompounds)
+			delete c;
+	}
 
 
 	Compound *get(std::string id)
 	Compound *get(std::string id)
 	{
 	{

test/rename-compound-test.cpp

@@ -15,12 +15,17 @@ int main(int argc, char* argv[])
 
 
 	try
 	try
 	{
 	{
-		if (std::filesystem::exists("../data/components.cif"))
-			cif::addFileResource("components.cif", "../data/components.cif");
+		std::filesystem::path testdir = std::filesystem::current_path();
 
 
-		mmcif::CompoundFactory::instance().pushDictionary("RXA.cif");
+		if (argc == 3)
+			testdir = argv[2];
 
 
-		mmcif::File f("../examples/1cbs.cif.gz");
+		if (std::filesystem::exists(testdir / ".."/"data"/"components.cif"))
+			cif::addFileResource("components.cif", testdir / ".."/"data"/"components.cif");
+
+		mmcif::CompoundFactory::instance().pushDictionary(testdir / "RXA.cif");
+
+		mmcif::File f(testdir / ".."/"examples"/"1cbs.cif.gz");
 		mmcif::Structure structure(f);
 		mmcif::Structure structure(f);
 
 
 		auto &res = structure.getResidue("B", "REA");
 		auto &res = structure.getResidue("B", "REA");

test/unit-test.cpp

@@ -33,6 +33,8 @@
 #include "cif++/Cif++.hpp"
 #include "cif++/Cif++.hpp"
 #include "cif++/BondMap.hpp"
 #include "cif++/BondMap.hpp"
 
 
+std::filesystem::path gTestDir = std::filesystem::current_path();	// filled in first test
+
 // --------------------------------------------------------------------
 // --------------------------------------------------------------------
 
 
 cif::File operator""_cf(const char* text, size_t length)
 cif::File operator""_cf(const char* text, size_t length)
@@ -51,12 +53,22 @@ cif::File operator""_cf(const char* text, size_t length)
 
 
 // --------------------------------------------------------------------
 // --------------------------------------------------------------------
 
 
+BOOST_AUTO_TEST_CASE(init)
+{
+	// not a test, just initialize test dir
+
+	if (boost::unit_test::framework::master_test_suite().argc == 2)
+		gTestDir = boost::unit_test::framework::master_test_suite().argv[1];
+}
+
+// --------------------------------------------------------------------
+
 BOOST_AUTO_TEST_CASE(ut1)
 BOOST_AUTO_TEST_CASE(ut1)
 {
 {
     cif::VERBOSE = 1;
     cif::VERBOSE = 1;
 
 
 	// do this now, avoids the need for installing
 	// do this now, avoids the need for installing
-	cif::addFileResource("mmcif_pdbx_v50.dic", "../rsrc/mmcif_pdbx_v50.dic");
+	cif::addFileResource("mmcif_pdbx_v50.dic", gTestDir / ".." / "rsrc" / "mmcif_pdbx_v50.dic");
 
 
     // using namespace mmcif;
     // using namespace mmcif;
 
 
@@ -1515,7 +1527,7 @@ BOOST_AUTO_TEST_CASE(bondmap_1)
 {
 {
     cif::VERBOSE = 2;
     cif::VERBOSE = 2;
 
 
-	cif::addFileResource("components.cif", "../data/components.cif");
+	cif::addFileResource("components.cif", gTestDir / ".." / "data" / "components.cif");
 
 
 	// sections taken from CCD compounds.cif
 	// sections taken from CCD compounds.cif
 	auto components = R"(
 	auto components = R"(
@@ -1604,7 +1616,7 @@ PRO CD  HD3 SING N N 16
 PRO OXT HXT SING N N 17
 PRO OXT HXT SING N N 17
 )"_cf;
 )"_cf;
 
 
-	const std::filesystem::path example("../examples/1cbs.cif.gz");
+	const std::filesystem::path example(gTestDir / ".."/"examples"/"1cbs.cif.gz");
 	mmcif::File file(example.string());
 	mmcif::File file(example.string());
 	mmcif::Structure structure(file);
 	mmcif::Structure structure(file);
 
 
@@ -1661,7 +1673,7 @@ BOOST_AUTO_TEST_CASE(bondmap_2)
 {
 {
 	BOOST_CHECK_THROW(mmcif::BondMap::atomIDsForCompound("UN_"), mmcif::BondMapException);
 	BOOST_CHECK_THROW(mmcif::BondMap::atomIDsForCompound("UN_"), mmcif::BondMapException);
 
 
-	mmcif::CompoundFactory::instance().pushDictionary("./UN_.cif");
+	mmcif::CompoundFactory::instance().pushDictionary(gTestDir / "UN_.cif");
 
 
 	BOOST_CHECK(mmcif::BondMap::atomIDsForCompound("UN_").empty() == false);
 	BOOST_CHECK(mmcif::BondMap::atomIDsForCompound("UN_").empty() == false);
 }
 }