source: src/Potentials/Specifics/unittests/Makefile.am@ 824bba

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Last change on this file since 824bba was 2124aa, checked in by Frederik Heber <heber@…>, 8 years ago

Extractors::reorderArgumentsByParticleTypes() rewritten to scan for all induced, connected subgraphs.

  • after filtering the arguments down to the required particle types, we use the adjacency graph that is passed down from creating the SaturatedFragments, stored in various FragmentationResultContainers and finally used to state whether in Extractors::gatherAllSymmetricDistances() a distance represents a bond or not. In this graph we look for all subgraphs that are homologous to the graph specified by the derived EmpiricalPotential. For each accepted subgraph we then gather again all symmetric distances and concatenate them all.
  • TESTFIX: Marked all potential fitting regression tests as XFAIL for the moment. On the one hand the homology container format changed (edges), and on the other hand we are in the middle of refactoring above function.
  • added test using edges for ExtractorsUnitTest.
  • lib dependency fixed for ..PotentialUnitTest.
  • NOTE: boost::graph is incompatible with CodePattern's MEMDEBUG. Hence, includes are placed prior to memdebug's.
  • Property mode set to 100644
File size: 4.3 KB
RevLine 
[3c1465]1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4POTENTIALSSPECIFICSTESTSSOURCES = \
[8203ce8]5 ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp \
[791a12]6 ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp \
[e2037e]7 ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp \
[ffc368]8 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
[76cbd0]9 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
[1413f4]10 ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp \
[484e2a]11 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp \
12 ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp
[3c1465]13
14POTENTIALSSPECIFICSTESTSHEADERS = \
[8203ce8]15 ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.hpp \
[791a12]16 ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.hpp \
[e2037e]17 ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.hpp \
[ffc368]18 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp \
[76cbd0]19 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp \
[1413f4]20 ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp \
[484e2a]21 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp \
22 ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp
[3c1465]23
24POTENTIALSSPECIFICSTESTS = \
[8203ce8]25 ConstantPotentialUnitTest \
[791a12]26 FourBodyPotential_ImproperUnitTest \
[e2037e]27 FourBodyPotential_TorsionUnitTest \
[ffc368]28 ManyBodyPotential_TersoffUnitTest \
[76cbd0]29 PairPotential_HarmonicUnitTest \
[1413f4]30 PairPotential_LennardJonesUnitTest \
[484e2a]31 PairPotential_MorseUnitTest \
32 ThreeBodyPotential_AngleUnitTest
[3c1465]33
34TESTS += $(POTENTIALSSPECIFICSTESTS)
35check_PROGRAMS += $(POTENTIALSSPECIFICSTESTS)
36noinst_PROGRAMS += $(POTENTIALSSPECIFICSTESTS)
37
38POTENTIALSSPECIFICSLIBS = \
[e9e86f]39 libUnitTest.la \
[748fc7]40 ../libMolecuilder.la \
[3c1465]41 ../libMolecuilderPotentials.la \
[7b019a]42 ../libMolecuilderFunctionApproximation.la \
[2124aa]43 ../libMolecuilderFragmentation.la \
[0932c2]44 ../libMolecuilderRandomNumbers.la \
[16227a]45 ../libMolecuilderFragmentationSummation.la \
46 ../libMolecuilderFragmentation_getFromKeysetStub.la \
[ffc368]47 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
[3c1465]48 ${CodePatterns_LIBS} \
[7b019a]49 $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
[3c1465]50 $(BOOST_LIB)
51
[e9e86f]52ConstantPotentialUnitTest_SOURCES = \
[8203ce8]53 ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp \
54 ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.hpp
55ConstantPotentialUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
56
[e9e86f]57FourBodyPotential_ImproperUnitTest_SOURCES = \
[791a12]58 ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp \
59 ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.hpp
60FourBodyPotential_ImproperUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
61
[e9e86f]62FourBodyPotential_TorsionUnitTest_SOURCES = \
[e2037e]63 ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp \
64 ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.hpp
65FourBodyPotential_TorsionUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
66
[e9e86f]67ManyBodyPotential_TersoffUnitTest_SOURCES = \
[ffc368]68 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
69 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp
70ManyBodyPotential_TersoffUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
71
[e9e86f]72PairPotential_HarmonicUnitTest_SOURCES = \
[3c1465]73 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
74 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp
75PairPotential_HarmonicUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
76
[e9e86f]77PairPotential_LennardJonesUnitTest_SOURCES = \
[1413f4]78 ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp \
79 ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp
80PairPotential_LennardJonesUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
81
[e9e86f]82PairPotential_MorseUnitTest_SOURCES = \
[76cbd0]83 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp \
84 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
85PairPotential_MorseUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
86
[e9e86f]87ThreeBodyPotential_AngleUnitTest_SOURCES = \
[484e2a]88 ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp \
89 ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp
90ThreeBodyPotential_AngleUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
91
[3c1465]92
93#AUTOMAKE_OPTIONS = parallel-tests
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