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Last change
on this file since 66ce7a was da84d6, checked in by Frederik Heber <heber@…>, 16 years ago |
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Incorporation of Unit test on class Vector.
- new file leastsquaremin.[ch]pp has least square minimisation which is otherwise unclean between classes molecules and Vector
Unit test (later tests rely on good results of earlier ones)
changes to class Vector:
- Vector::IsNull() -> IsZero()
- new function Vector::IsOne() similar to IsZero()
- BUGFIX: Vector::IsNULL() (thx to unit test :)
- Tesselation::getAngle() changed due to above rename
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Property mode
set to
100755
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File size:
1.4 KB
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| 1 | SOURCE = atom.cpp bond.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp helpers.cpp leastsquaremin.cpp linkedcell.cpp moleculelist.cpp molecules.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp vector.cpp verbose.cpp
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| 2 | HEADER = atom.hpp bond.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp helpers.hpp leastsquaremin.hpp linkedcell.hpp molecules.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp verbose.hpp
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| 3 |
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| 4 | bin_PROGRAMS = molecuilder joiner analyzer VectorUnitTest
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| 5 | molecuilderdir = ${bindir}
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| 6 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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| 7 | molecuilder_SOURCES = ${SOURCE} builder.cpp ${HEADER}
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| 8 | joiner_SOURCES = joiner.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
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| 9 | analyzer_SOURCES = analyzer.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
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| 10 |
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| 11 | TESTS = VectorUnitTest
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| 12 | check_PROGRAMS = $(TESTS)
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| 13 | VectorUnitTest_SOURCES = defs.hpp helpers.cpp helpers.hpp leastsquaremin.cpp leastsquaremin.hpp vectorunittest.cpp vectorunittest.hpp vector.cpp vector.hpp verbose.cpp verbose.hpp
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| 14 | VectorUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
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| 15 | VectorUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
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| 16 |
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| 17 | EXTRA_DIST = ${molecuilder_DATA}
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