Changeset 1006
- Timestamp:
- Sep 16, 2010 2:32:38 PM (15 years ago)
- File:
-
- 1 edited
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TabularUnified branches/sandbox/distrest.tcl ¶
r1005 r1006 62 62 grid $top.rlabel2 -column 5 -row 2 63 63 64 SR_Rest_Only65 64 set ::sr_rb "" 66 65 SR_Fill_Display $main … … 85 84 catch {unset ::sr_lookuplist1} 86 85 catch {unset ::sr_lookuplist2} 87 catch {unset ::sr_restraintdist}88 catch {unset ::sr_restraintesd}86 # catch {unset ::sr_restraintdist} 87 # catch {unset ::sr_restraintesd} 89 88 set ::sr_bond_list "" 90 89 set ::sr_key_list "" … … 149 148 #create bond ID code 150 149 set t2 [string map {" " ""} [set t1 $initsoftpar($x)]] 151 set ::sr_restraintdist($t2) "" 152 set ::sr_restraintesd($t2) "" 150 151 set z [info exists ::sr_restraintdist($t2)] 152 if {$z == 0} { 153 set ::sr_restraintdist($t2) "" 154 set ::sr_restraintesd($t2) "" 155 } 153 156 154 157 #extract bond distance … … 427 430 proc SR_Write_Restraints { } { 428 431 if {$::sr_error == 0} { 429 # set ::sr_write "" 432 set sr_write "" 433 set new_list "" 430 434 set len [llength $::sr_bond_list] 435 set ::sr_key_list "" 431 436 for {set i 0} {$i <= [expr $len-1]} {incr i} { 432 437 set temp [lindex $::sr_bond_list $i] … … 438 443 $::sr_restraintesd([lindex $temp 13])" 439 444 lappend sr_write $softrest 440 } 445 lappend new_list $temp 446 447 } else { 448 unset ::sr_restraintdist([lindex $temp 13]) 449 unset ::sr_restraintesd([lindex $temp 13]) 450 } 441 451 } 442 452 puts $sr_write 443 453 # put the entire restraint list back into the .EXP file 444 454 SoftConst restraintlist set $sr_write 455 set ::sr_bond_list $new_list 445 456 # indicate a change to the .EXP file 446 457 incr ::expgui(changed) 447 458 # close the window and return access to main window 448 459 destroy .mainrestraintbox 460 set ::sr_display_mode noedit 449 461 afterputontop 462 DisplayDistanceRestraints 450 463 } else { 451 464 bell … … 519 532 pack $::srcb3 -side bottom -anchor w -fill x 520 533 521 label $srcb1.atomlabel1 -text "Atom Type 1"522 label $srcb1.atomlabel2 -text "Atom Type 2"534 label $srcb1.atomlabel1 -text "Atom 1 Filter" 535 label $srcb1.atomlabel2 -text "Atom 2 Filter" 523 536 label $srcb1.dminlabel -text "Dmin" 524 537 label $srcb1.dmaxlabel -text "Dmax" … … 543 556 button $srcb2.rbutton2 -text "check remove" -command {SR_Delete_Restraints} 544 557 button $::srcb3.rbutton3 -text "Save Restraints to EXP File" -bd 6 -bg green -command {SR_Write_Restraints} 545 button $::srcb3.rbutton4 -text "Cancel" -command {destroy .mainrestraintbox; afterputontop} 558 button $::srcb3.rbutton4 -text "Cancel" -command {destroy .mainrestraintbox 559 afterputontop 560 SR_Rest_Only 561 DisplayDistanceRestraints} 562 wm protocol .mainrestraintbox WM_DELETE_WINDOW {destroy .mainrestraintbox 563 afterputontop 564 SR_Rest_Only 565 DisplayDistanceRestraints} 546 566 547 567 grid $srcb1.atomlabel1 -column 1 -row 0 … … 648 668 #************************************************************************* 649 669 proc SR_Initialize {} { 670 catch {unset ::sr_restraintdist} 671 catch {unset ::sr_restraintesd} 672 650 673 set ::sr_atom1_button 1 651 674 set ::sr_atom2_button 1 … … 660 683 set ::sr_dminvalue 0 661 684 set ::sr_dmaxvalue 1000 662 685 SR_Rest_Only 663 686 } 664 687 665 688 proc SR_Rest_Only {} { 666 set ::sr_display_mode noedit689 set ::sr_display_mode noedit 667 690 catch {unset ::sr_lookuplist1} 668 691 catch {unset ::sr_lookuplist2} 669 catch {unset ::sr_restraintdist}670 catch {unset ::sr_restraintesd}692 # catch {unset ::sr_restraintdist} 693 # catch {unset ::sr_restraintesd} 671 694 set ::sr_bond_list "" 672 695 set ::sr_key_list "" 673 696 SR_Load_Restraints 674 697 } 675 698 … … 684 707 #SR_Load_Restraints 685 708 709 710 711 686 712 proc SR_TEST {} { 687 713 set ::sr_display_mode edit
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