Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChemicalSpaceEvaluator
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Exclude_Hydrogens_annealWithBondGraph
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_contraction-expansion
        Gui_displays_atomic_force_velocity
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        stable
      
      
        
          | 
            Last change
 on this file since 167523 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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            File size:
            996 bytes
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| [0773bd] | 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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