| [0773bd] | 1 | #!/usr/bin/tclsh | 
|---|
|  | 2 | # | 
|---|
|  | 3 | # This scripts parsed a tecplot style file of triangles and produces one | 
|---|
|  | 4 | # frame for each found triangle to be used in animation of the tesselation | 
|---|
|  | 5 | # including the rolling sphere via VMD's graphics interface. | 
|---|
|  | 6 | # | 
|---|
|  | 7 | # Use as follows: | 
|---|
|  | 8 | # surfacing <filename>          # to start | 
|---|
|  | 9 | # surfacing_off                 # to end | 
|---|
|  | 10 |  | 
|---|
|  | 11 | # fname is the filename of the tecplot .dat file | 
|---|
|  | 12 | proc surfacing { fname } { | 
|---|
|  | 13 | global nodes | 
|---|
|  | 14 | global Triangles | 
|---|
|  | 15 | global tcount | 
|---|
|  | 16 | # open file | 
|---|
|  | 17 | set file [open $fname r] | 
|---|
|  | 18 | gets $file title | 
|---|
|  | 19 | gets $file variables | 
|---|
|  | 20 | gets $file zone | 
|---|
|  | 21 | # parse nodes | 
|---|
|  | 22 | set ncount 1 | 
|---|
|  | 23 | gets $file line | 
|---|
|  | 24 | while { $line != {} } { | 
|---|
|  | 25 | set nodes($ncount) $line | 
|---|
|  | 26 | incr ncount | 
|---|
|  | 27 | gets $file line | 
|---|
|  | 28 | } | 
|---|
|  | 29 | set ncount [ expr $ncount -1 ] | 
|---|
|  | 30 | puts "There are $ncount nodes." | 
|---|
|  | 31 | # there's a blank line in between | 
|---|
|  | 32 | # parse triangles | 
|---|
|  | 33 | set tcount 0 | 
|---|
|  | 34 | gets $file line | 
|---|
|  | 35 | while { $line != {} } { | 
|---|
|  | 36 | set Triangles($tcount) [ split $line " "] | 
|---|
|  | 37 | incr tcount | 
|---|
|  | 38 | gets $file line | 
|---|
|  | 39 | } | 
|---|
|  | 40 | puts "There are $tcount triangles." | 
|---|
|  | 41 |  | 
|---|
|  | 42 |  | 
|---|
|  | 43 | # avoid some 'animate dup' bug | 
|---|
|  | 44 | set molid [molinfo top] | 
|---|
|  | 45 | if {$tcount < 2} { | 
|---|
|  | 46 | error "tcount should be greater than 2." | 
|---|
|  | 47 | } | 
|---|
|  | 48 | # make tcount-1 copies of current frame | 
|---|
|  | 49 | for {set i 0} {$i <$tcount} {incr i} { | 
|---|
|  | 50 | animate dup frame 0 $molid | 
|---|
|  | 51 | } | 
|---|
|  | 52 | animate goto 0 | 
|---|
|  | 53 |  | 
|---|
|  | 54 | global vmd_frame | 
|---|
|  | 55 | trace variable vmd_frame([molinfo top]) w update_current_surface | 
|---|
|  | 56 | display update | 
|---|
|  | 57 | return | 
|---|
|  | 58 | } | 
|---|
|  | 59 |  | 
|---|
|  | 60 | proc update_current_surface {name index op} { | 
|---|
|  | 61 | draw delete all | 
|---|
|  | 62 | global nodes | 
|---|
|  | 63 | global Triangles | 
|---|
|  | 64 | set count 0 | 
|---|
|  | 65 | set frame [molinfo $index get frame] | 
|---|
|  | 66 | while { [expr $count+1] < $frame } { | 
|---|
|  | 67 | draw color red | 
|---|
|  | 68 | draw material Transparent | 
|---|
|  | 69 | set first [ lrange $nodes([ lindex $Triangles($count) 0 ]) 0 2 ] | 
|---|
|  | 70 | set second [ lrange $nodes([ lindex $Triangles($count) 1 ]) 0 2 ] | 
|---|
|  | 71 | set third [ lrange $nodes([ lindex $Triangles($count) 2 ]) 0 2 ] | 
|---|
|  | 72 | draw triangle $first $second $third | 
|---|
|  | 73 | incr count | 
|---|
|  | 74 | } | 
|---|
|  | 75 | if { [expr $count+1] <= $frame } { | 
|---|
|  | 76 | draw color green | 
|---|
|  | 77 | draw material Opaque | 
|---|
|  | 78 | puts "Last triangle is [lindex $Triangles($count) 0] [lindex $Triangles($count) 1] [lindex $Triangles($count) 2]" | 
|---|
|  | 79 | set first [ lrange $nodes([ lindex $Triangles($count) 0 ]) 0 2 ] | 
|---|
|  | 80 | set second [ lrange $nodes([ lindex $Triangles($count) 1 ]) 0 2 ] | 
|---|
|  | 81 | set third [ lrange $nodes([ lindex $Triangles($count) 2 ]) 0 2 ] | 
|---|
|  | 82 | draw triangle $first $second $third | 
|---|
|  | 83 | } | 
|---|
|  | 84 | #enumerate_atoms 0 | 
|---|
|  | 85 |  | 
|---|
|  | 86 | return | 
|---|
|  | 87 | } | 
|---|
|  | 88 |  | 
|---|
|  | 89 | proc surfacing_off {} { | 
|---|
|  | 90 | global vmd_frame | 
|---|
|  | 91 | global tcount | 
|---|
|  | 92 | trace vdelete vmd_frame([molinfo top]) w update_current_surface | 
|---|
|  | 93 | draw delete all | 
|---|
|  | 94 | animate delete beg 1 end $tcount skip 0 [molinfo top] | 
|---|
|  | 95 | return | 
|---|
|  | 96 | } | 
|---|
|  | 97 |  | 
|---|