source: molecuilder/src/Makefile.am@ 7fcea6

Last change on this file since 7fcea6 was e292c10, checked in by Frederik Heber <heber@…>, 17 years ago

VolumeOfConvexEnvelope: Works!

VolumeOfConvexEnvelope has been analysed into various smaller functions and approach is working.
two new files: boundary.?pp
various new functions:
class Tesselation with AddPoint(), TesselateOnBoundary() and GuessStartingTriangle() does the actual tesselation
CreateClustersinWater() will create the repetition of the cluster with correct spacing (unfinished).
GetDiametersOfCluster() calculate the greatest diameter in projection per axis
GetBoundaryPoints() gets the boundary on the convex envelope by projection for a molecular cluster
GetCommonEndpoint() finds the endpoint two lines are sharing

  • Property mode set to 100644
File size: 718 bytes
Line 
1SOURCE = atom.cpp bond.cpp boundary.cpp builder.cpp config.cpp element.cpp helpers.cpp molecules.cpp moleculelist.cpp periodentafel.cpp vector.cpp verbose.cpp
2HEADER = boundary.hpp defs.hpp helpers.hpp molecules.hpp stackclass.hpp vector.hpp
3
4bin_PROGRAMS = molecuilder joiner analyzer
5molecuilderdir = ${bindir}
6molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
7molecuilder_SOURCES = ${SOURCE} ${HEADER}
8joiner_SOURCES = joiner.cpp parser.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.cpp datacreator.hpp
9analyzer_SOURCES = analyzer.cpp parser.cpp datacreator.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.hpp
10
11
12#EXTRA_DIST = ${molecuilder_DATA}
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