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Last change
on this file since 834ff3 was 834ff3, checked in by Frederik Heber <heber@…>, 16 years ago |
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Huge refactoring of Tesselation routines, but not finished yet.
- new file tesselation.cpp with all of classes tesselation, Boundary..Set and CandidatesForTesselationOB
- new file tesselationhelper.cpp with all auxiliary functions.
- boundary.cpp just contains super functions, combininb molecule and Tesselation pointers
- new pointer molecule::TesselStruct
- PointMap, LineMap, TriangleMap DistanceMap have been moved from molecules.hpp to tesselation.hpp
- new abstract class PointCloud and TesselPoint
- atom inherits TesselPoint
- molecule inherits PointCloud (i.e. a set of TesselPoints) and implements all virtual functions for the chained list
- TriangleFilesWritten is thrown out, intermediate steps are written in find_nonconvex_border and not in find_next_triangle()
- LinkedCell class uses TesselPoint as its nodes, i.e. as long as any class inherits TesselPoint, it may make use of LinkedCell as well and a PointCloud is used to initialize
- class atom and bond definitions have been moved to own header files
NOTE: This is not bugfree yet. Tesselation of heptan produces way too many triangles, but runs without faults or leaks.
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Property mode
set to
100755
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File size:
1008 bytes
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| 1 | SOURCE = atom.cpp bond.cpp boundary.cpp builder.cpp config.cpp element.cpp ellipsoid.cpp helpers.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 defs.hpp ellipsoid.hpp helpers.hpp linkedcell.hpp molecules.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp
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| 4 | bin_PROGRAMS = molecuilder joiner analyzer
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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} ${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 |
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| 12 | EXTRA_DIST = ${molecuilder_DATA}
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