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#include "obtest.h"
#include <openbabel/stereo/cistrans.h>
using namespace std;
using namespace OpenBabel;
// 2 3
// - ///
// - //
// 0 --- 1
// \
// \
// 4
void test_ToConfig()
{
OBCisTransStereo::Config cfg;
// set clockwise, viewing from 1
cfg.begin = 0;
cfg.end = 1;
cfg.refs = OBStereo::MakeRefs(2, 3, 4, 5);
OB_REQUIRE( cfg.begin == 0 );
OB_REQUIRE( cfg.end == 1 );
OB_REQUIRE( cfg.refs.size() == 4 );
OB_REQUIRE( cfg.refs[0] == 2 );
OB_REQUIRE( cfg.refs[1] == 3 );
OB_REQUIRE( cfg.refs[2] == 4 );
OB_REQUIRE( cfg.refs[3] == 5 );
OB_REQUIRE( cfg.shape == OBStereo::ShapeU );
// test nothing operation
OBCisTransStereo::Config cfg2;
cfg2 = OBTetraPlanarStereo::ToConfig(cfg, 2);
OB_ASSERT( cfg == cfg2 );
OB_ASSERT( cfg2.refs[0] == cfg.refs[0] );
OB_ASSERT( cfg2.refs[1] == cfg.refs[1] );
OB_ASSERT( cfg2.refs[2] == cfg.refs[2] );
OB_ASSERT( cfg2.refs[3] == cfg.refs[3] );
// try start = 3
cfg2 = OBTetraPlanarStereo::ToConfig(cfg, 3);
OB_ASSERT( cfg2.begin == 0 );
OB_ASSERT( cfg2.end == 1 );
OB_ASSERT( cfg2.refs.size() == 4 );
OB_ASSERT( cfg2.refs[0] == 3 );
OB_ASSERT( cfg2.refs[1] == 4 );
OB_ASSERT( cfg2.refs[2] == 5 );
OB_ASSERT( cfg2.refs[3] == 2 );
OB_ASSERT( cfg2.shape == OBStereo::ShapeU );
// try start = 5
cfg2 = OBTetraPlanarStereo::ToConfig(cfg, 5);
OB_ASSERT( cfg2.begin == 0 );
OB_ASSERT( cfg2.end == 1 );
OB_ASSERT( cfg2.refs.size() == 4 );
OB_ASSERT( cfg2.refs[0] == 5 );
OB_ASSERT( cfg2.refs[1] == 2 );
OB_ASSERT( cfg2.refs[2] == 3 );
OB_ASSERT( cfg2.refs[3] == 4 );
OB_ASSERT( cfg2.shape == OBStereo::ShapeU );
// try U -> Z
OBCisTransStereo::Config shapeZ = OBTetraPlanarStereo::ToConfig(cfg, 2, OBStereo::ShapeZ);
OB_ASSERT( shapeZ.begin == 0 );
OB_ASSERT( shapeZ.end == 1 );
OB_ASSERT( shapeZ.refs.size() == 4 );
OB_ASSERT( shapeZ.refs[0] == 2 );
OB_ASSERT( shapeZ.refs[1] == 3 );
OB_ASSERT( shapeZ.refs[2] == 5 );
OB_ASSERT( shapeZ.refs[3] == 4 );
OB_ASSERT( shapeZ.shape == OBStereo::ShapeZ );
// try U -> 4
OBCisTransStereo::Config shape4 = OBTetraPlanarStereo::ToConfig(cfg, 2, OBStereo::Shape4);
OB_ASSERT( shape4.begin == 0 );
OB_ASSERT( shape4.end == 1 );
OB_ASSERT( shape4.refs.size() == 4 );
OB_ASSERT( shape4.refs[0] == 2 );
OB_ASSERT( shape4.refs[1] == 4 );
OB_ASSERT( shape4.refs[2] == 3 );
OB_ASSERT( shape4.refs[3] == 5 );
OB_ASSERT( shape4.shape == OBStereo::Shape4 );
// try Z -> U
OBCisTransStereo::Config shapeU = OBTetraPlanarStereo::ToConfig(shapeZ, 2, OBStereo::ShapeU);
OB_ASSERT( shapeU.begin == 0 );
OB_ASSERT( shapeU.end == 1 );
OB_ASSERT( shapeU.refs.size() == 4 );
OB_ASSERT( shapeU.refs[0] == 2 );
OB_ASSERT( shapeU.refs[1] == 3 );
OB_ASSERT( shapeU.refs[2] == 4 );
OB_ASSERT( shapeU.refs[3] == 5 );
OB_ASSERT( shapeU.shape == OBStereo::ShapeU );
// try 4 -> U
shapeU = OBTetraPlanarStereo::ToConfig(shape4, 2, OBStereo::ShapeU);
OB_ASSERT( shapeU.begin == 0 );
OB_ASSERT( shapeU.end == 1 );
OB_ASSERT( shapeU.refs.size() == 4 );
OB_ASSERT( shapeU.refs[0] == 2 );
OB_ASSERT( shapeU.refs[1] == 3 );
OB_ASSERT( shapeU.refs[2] == 4 );
OB_ASSERT( shapeU.refs[3] == 5 );
OB_ASSERT( shapeU.shape == OBStereo::ShapeU );
}
int main()
{
test_ToConfig();
return 0;
}
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