Changeset 1001 for branches/sandbox/distrest.tcl
- Timestamp:
- Sep 14, 2010 4:41:27 PM (12 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
branches/sandbox/distrest.tcl
r1000 r1001 13 13 grid [frame $leftfr -bd 2 -relief groove] -column 0 -row 0 \ 14 14 -sticky nsew 15 grid [frame $expcons(distmaster).f2 -bd 2 -relief groove] -column 0 -row 1\15 grid [frame $expcons(distmaster).f2 -bd 2 -relief groove] -column 1 -row 0 \ 16 16 -sticky nsew 17 17 grid rowconfigure $expcons(distmaster) 0 -weight 1 18 18 grid columnconfigure $expcons(distmaster) 1 -weight 1 19 # grid [button $leftfr.phase -text "Phase button here"] -column 0 -row 1 \20 # -sticky sw -columnspan 221 19 22 20 … … 69 67 } 70 68 set natoms [phaseinfo 1 natoms] 71 puts "there are $natoms atoms in the file"72 puts "$::sr_bond_totals bond distances have been read from the file"69 #puts "there are $natoms atoms in the file" 70 #puts "$::sr_bond_totals bond distances have been read from the file" 73 71 close $fh 74 72 … … 207 205 #************************************************************************************** 208 206 proc SR_Sort {whichbutton main} { 209 puts SR_Sort210 207 # reset all button labels 211 208 $::sr_top.alabel1 config -text "Atom 1" … … 223 220 set x [expr $::sr_atom1_button * -1] 224 221 set ::sr_atom1_button $x 225 puts $::sr_atom1_button222 #puts $::sr_atom1_button 226 223 } elseif {$whichbutton == "atom2"} { 227 puts "atom2"228 224 if {$::sr_atom2_button == 1} { 229 225 set ::sr_prsort [lsort -integer -decreasing -index 2 $::sr_all_bonds] … … 235 231 set x [expr $::sr_atom2_button * -1] 236 232 set ::sr_atom2_button $x 237 puts $::sr_atom2_button238 233 } else { 239 234 if {$::sr_distance_button == 1} { … … 247 242 set x [expr $::sr_distance_button * -1] 248 243 set ::sr_distance_button $x 249 puts $::sr_distance_button250 244 } 251 245 SR_Fill_Display $main … … 302 296 #***************************************************************************************** 303 297 proc SR_Fill_Display {main args} { 304 puts Fill_Display305 298 eval destroy [winfo children $main] 306 299 set choice $::sr_entryvar(choicenum) … … 310 303 311 304 set len [llength $::sr_prsort] 312 puts "prsort length $len"313 305 set rownum 0 314 306 for {set i 0} {$i <= $len} {incr i} { … … 328 320 label $main.rdistance$i -text [lindex $rprint 8] -justify center -anchor center 329 321 entry $main.restraint$i -width 8 -textvariable ::sr_restraintdist([lindex $rprint 13]) -takefocus 1 330 puts $main.restraint$i331 322 bind $main.restraint$i <KeyRelease> {SR_Validate_Soft %W distance} 332 puts $main.restesd$i333 323 entry $main.restesd$i -width 8 -textvariable ::sr_restraintesd([lindex $rprint 13]) -takefocus 1 334 324 bind $main.restesd$i <KeyRelease> {SR_Validate_Soft %W esd} … … 397 387 set temp_res [SoftConst restraintlist] 398 388 set lenr [llength $temp_res] 399 puts $lenr400 389 set ::sr_restraints_only "" 401 390 … … 404 393 #} 405 394 foreach temp_res1 $temp_res { 406 puts $temp_res1407 395 set t1 "[lindex $temp_res1 0] [lindex $temp_res1 1] [lindex $temp_res1 2] \ 408 396 [lindex $temp_res1 3] [lindex $temp_res1 4] [lindex $temp_res1 5] \ 409 397 [lindex $temp_res1 6] [lindex $temp_res1 7]" 410 398 set t2 [string map {" " ""} $t1] 411 #puts $t2412 399 set ::sr_restraintdist($t2) [lindex $temp_res1 8] 413 400 set ::sr_restraintesd($t2) [lindex $temp_res1 9] … … 418 405 for {set j 0} {$j < $::sr_bond_totals} {incr j} { 419 406 set temp_dist [lindex $::sr_all_bonds $j] 420 puts "$j [lindex $temp_dist 13]"421 407 if {$::sr_restraintdist([lindex $temp_dist 13]) != ""} { 422 408 lappend ::sr_restraints_only $temp_dist … … 433 419 # set ::sr_write "" 434 420 set len [llength $::sr_all_bonds] 435 puts $len436 421 for {set i 0} {$i <= [expr $len-1]} {incr i} { 437 422 set temp [lindex $::sr_all_bonds $i] … … 442 427 $::sr_restraintdist([lindex $temp 13])\ 443 428 $::sr_restraintesd([lindex $temp 13])" 444 puts $softrest445 429 lappend sr_write $softrest 446 430 } … … 454 438 afterputontop 455 439 } else { 456 puts "invalid restaint / esd. Save aborted" 440 bell 441 #puts "invalid restaint / esd. Save aborted" 457 442 } 458 443 } … … 465 450 foreach i [array names ::sr_crestraint] { 466 451 if {$::sr_crestraint($i) == 1} { 467 puts "::sr_restraintdist($i) $::sr_rvalue"452 #puts "::sr_restraintdist($i) $::sr_rvalue" 468 453 set ::sr_restraintdist($i) $::sr_rvalue 469 454 set ::sr_restraintesd($i) $::sr_resd
Note: See TracChangeset
for help on using the changeset viewer.