source: src/Fragmentation/Exporters/unittests@ cdac1d

SaturateAtoms_singleDegree
Name Size Rev Age Author Last Change
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stubs a1d1dd   11 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
HydrogenPoolUnitTest.cpp 4.8 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
HydrogenPoolUnitTest.hpp 826 bytes ​ c3df23   12 years FrederikHeber Added HydrogenPool for controlling a set of saturation hydrogens.
Makefile.am 2.7 KB ​ 64cafb2   9 years FrederikHeber Revert "Trimmed down SphericalPointDistribution to what is needed at …
SaturatedFragmentUnitTest.cpp 2.4 KB ​ 98a293b   11 years FrederikHeber SaturatedFragment can deal with a global saturation position map. - …
SaturatedFragmentUnitTest.hpp 970 bytes ​ 7d5fcd   12 years FrederikHeber Added SaturatedFragment as a wrapper to KeySet with saturation hydrogens.
SaturationDistanceMaximizerUnitTest.cpp 4.0 KB ​ a1d1dd   11 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
SaturationDistanceMaximizerUnitTest.hpp 931 bytes ​ a1d1dd   11 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
SphericalPointDistributionUnitTest.cpp 3.9 KB ​ 64cafb2   9 years FrederikHeber Revert "Trimmed down SphericalPointDistribution to what is needed at …
SphericalPointDistributionUnitTest.hpp 923 bytes ​ 64cafb2   9 years FrederikHeber Revert "Trimmed down SphericalPointDistribution to what is needed at …
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