Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since d1134d was 0773bd, checked in by Frederik Heber <heber@…>, 13 years ago |
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Added Tcl scripts used for visualizing faulty rolling spheres or the whole surface.
- in CandidateForTesselation an error message makes explicit reference to
animate_sphere, hence we should place it with molecuilder to eas debugging.
- show_surface can be used to visualize the written TecPlot style .dat file
containing the triangle information of the tesselated surface.
- surfacing produces an animation (i.e. a number of frames) showing the
sequence of found triangles and the rolling sphere which can be used to
easily produce movies of the on-going tesselation.
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-
Property mode
set to
100644
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File size:
996 bytes
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| 1 | #!/usr/bin/tclsh
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| 2 | #
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| 3 | # This scripts parsed a tecplot style file of triangles and displays them via VMD's graphics interface
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| 4 |
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| 5 | # fname is the filename of the tecplot .dat file
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| 6 | proc show_surface { fname } {
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| 7 | draw delete all
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| 8 | # open file
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| 9 | set file [open $fname r]
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| 10 | gets $file title
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| 11 | gets $file variables
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| 12 | gets $file zone
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| 13 | # parse nodes
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| 14 | set ncount 1
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| 15 | gets $file line
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| 16 | while { $line != {} } {
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| 17 | set nodes($ncount) $line
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| 18 | incr ncount
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| 19 | gets $file line
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| 20 | }
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| 21 | set ncount [ expr $ncount -1 ]
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| 22 | puts "There are $ncount nodes."
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| 23 | # there's a blank line in between
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| 24 | # parse triangles
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| 25 | set tcount 0
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| 26 | gets $file line
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| 27 | while { $line != {} } {
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| 28 | set triangles [ split $line " "]
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| 29 | set first [ lrange $nodes([ lindex $triangles 0 ]) 0 2 ]
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| 30 | set second [ lrange $nodes([ lindex $triangles 1 ]) 0 2 ]
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| 31 | set third [ lrange $nodes([ lindex $triangles 2 ]) 0 2 ]
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| 32 | draw material Transparent
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| 33 | draw color blue2
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| 34 | draw triangle $first $second $third
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| 35 | incr tcount
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| 36 | gets $file line
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| 37 | }
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| 38 | puts "There are $tcount triangles."
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| 39 | }
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