Changeset 1012
- Timestamp:
- Sep 20, 2010 3:49:53 PM (10 years ago)
- File:
-
- 1 edited
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branches/sandbox/distrest.tcl
r1011 r1012 6 6 #::sr_lookuplist1 7 7 #::sr_lookuplist2 8 # sr_top8 #::sr_top 9 9 #::sr_checkall 10 10 #::sr_entryvar(choicenum) … … 103 103 set atom2_state 1 104 104 105 button $top.alabel1 -text "Atom 1" -width 6-anchor center \105 button $top.alabel1 -text "Atom 1" -width 7 -anchor center \ 106 106 -command "SR_Sort atom1 $main $top.alabel1 $top.alabel2 {}" 107 107 108 button $top.alabel2 -text "Atom 2" -width 6-anchor center \108 button $top.alabel2 -text "Atom 2" -width 7 -anchor center \ 109 109 -command "SR_Sort atom2 $main $top.alabel1 $top.alabel2 {}" 110 110 … … 117 117 grid $top.rlabel2 -column 5 -row 2 118 118 119 120 #remove traces to reset ::sr_entryvar(softatom1) and ::sr_entryvar(softatom2) 121 foreach item [trace vinfo ::sr_entryvar(softatom1)] { 122 eval trace vdelete ::sr_entryvar(softatom1) $item 123 } 124 foreach item [trace vinfo ::sr_entryvar(softatom2)] { 125 eval trace vdelete ::sr_entryvar(softatom2) $item 126 } 127 set ::sr_entryvar(softatom1) "all" 128 set ::sr_entryvar(softatom2) "all" 129 #restart traces 130 trace variable ::sr_entryvar(softatom1) w SR_Display 131 trace variable ::sr_entryvar(softatom2) w SR_Display 132 133 119 134 SR_Rest_Only 120 135 SR_Show_RestraintsOnly $main $rightfr … … 122 137 eval trace vdelete ::sr_entryvar(softphase) $item 123 138 } 139 124 140 trace add variable ::sr_entryvar(softphase) write "SR_Show_RestraintsOnly $main $rightfr" 125 141 } 126 142 proc SR_Show_RestraintsOnly {main rightfr args} { 143 127 144 SR_Fill_Display $main 128 145 ResizeScrollTable $rightfr … … 225 242 #puts "$initsoftpar($x)" 226 243 #set atom types into array 227 lappend ::sr_lookuplist1($type1) $x 228 lappend ::sr_lookuplist2($type2) $x 244 set i [lindex $bond_dist_array($x) 1] 245 246 247 lappend ::sr_lookuplist1${i}($type1) $x 248 lappend ::sr_lookuplist2${i}($type2) $x 229 249 230 250 #add bond code to list element and key list … … 297 317 pack $sr_rb -side top -fill both -expand 1 298 318 299 foreach { sr_top main side lbl} [MakeScrollTable $sr_rb] {}319 foreach {::sr_top main side lbl} [MakeScrollTable $sr_rb] {} 300 320 set ::contraintmainbox $main 301 321 302 button $ sr_top.alabel1 -text "Atom 1 " -width 7 \303 -command "SR_Sort atom1 $main $ sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"304 button $ sr_top.alabel2 -text "Atom 2 " -width 7 \305 -command "SR_Sort atom2 $main $ sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"306 button $ sr_top.dlabel1 -text "Distance " -width 9 \307 -command "SR_Sort distance $main $ sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"308 309 grid $ sr_top.alabel1 -column 1 -row 2310 grid $ sr_top.alabel2 -column 2 -row 2311 grid $ sr_top.dlabel1 -column 3 -row 2312 313 label $ sr_top.rlabel1 -text "Restraint"314 label $ sr_top.rlabel2 -text "esd"315 grid $ sr_top.rlabel1 -column 4 -row 2 -padx 20316 grid $ sr_top.rlabel2 -column 5 -row 2 -padx 20317 318 319 button $ sr_top.rcon1 -text "Check All" -width 10 -command {322 button $::sr_top.alabel1 -text "Atom 1 " -width 7 \ 323 -command "SR_Sort atom1 $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1" 324 button $::sr_top.alabel2 -text "Atom 2 " -width 7 \ 325 -command "SR_Sort atom2 $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1" 326 button $::sr_top.dlabel1 -text "Distance " -width 9 \ 327 -command "SR_Sort distance $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1" 328 329 grid $::sr_top.alabel1 -column 1 -row 2 330 grid $::sr_top.alabel2 -column 2 -row 2 331 grid $::sr_top.dlabel1 -column 3 -row 2 332 333 label $::sr_top.rlabel1 -text "Restraint" 334 label $::sr_top.rlabel2 -text "esd" 335 grid $::sr_top.rlabel1 -column 4 -row 2 -padx 20 336 grid $::sr_top.rlabel2 -column 5 -row 2 -padx 20 337 338 339 button $::sr_top.rcon1 -text "Check All" -width 10 -command { 320 340 set ::sr_checkall 1 321 341 SR_Set_All_Check_Buttons 322 grid forget $ sr_top.rcon1323 grid $ sr_top.rcon2 -column 6 -row 2 -padx 5324 } 325 326 button $ sr_top.rcon2 -text "Clear All" -width 10 -command {342 grid forget $::sr_top.rcon1 343 grid $::sr_top.rcon2 -column 6 -row 2 -padx 5 344 } 345 346 button $::sr_top.rcon2 -text "Clear All" -width 10 -command { 327 347 set ::sr_checkall 0 328 348 SR_Set_All_Check_Buttons 329 grid forget $ sr_top.rcon2330 grid $ sr_top.rcon1 -column 6 -row 2 -padx 5331 } 332 333 grid $ sr_top.rcon1 -column 6 -row 2 -padx 5349 grid forget $::sr_top.rcon2 350 grid $::sr_top.rcon1 -column 6 -row 2 -padx 5 351 } 352 353 grid $::sr_top.rcon1 -column 6 -row 2 -padx 5 334 354 335 355 #SR_Sort atom1 $main … … 354 374 set len [llength $::sr_bond_list] 355 375 set rownum 0 376 if {[string trim $::sr_dminvalue] == ""} {set ::sr_dminvalue 0} 377 if {[string trim $::sr_dmaxvalue] == ""} {set ::sr_dmaxvalue 1000} 356 378 for {set i 0} {$i <= $len} {incr i} { 357 379 set rprint [lindex $::sr_bond_list $i] … … 576 598 toplevel $mrb 577 599 #pack $mrb -side top 578 wm title $mrb "Soft Restraint Control Panel "600 wm title $mrb "Soft Restraint Control Panel for Phase $::sr_entryvar(softphase)" 579 601 #wm geometry $mrb 415x500+10+10 580 602 #wm geometry $mrb {} … … 595 617 label $srcb2.restlabel -text "Restraint Value" -width 16 -anchor w 596 618 label $srcb2.restlabelesd -text "esd" 597 eval tk_optionMenu $srcb1.atom1 ::sr_entryvar(softatom1) "[lsort [array names ::sr_lookuplist1]] all" 598 eval tk_optionMenu $srcb1.atom2 ::sr_entryvar(softatom2) "[lsort [array names ::sr_lookuplist2]] all" 619 620 eval tk_optionMenu $srcb1.atom1 ::sr_entryvar(softatom1) "[lsort [array names ::sr_lookuplist1${::sr_entryvar(softphase)}]] all" 621 eval tk_optionMenu $srcb1.atom2 ::sr_entryvar(softatom2) "[lsort [array names ::sr_lookuplist2${::sr_entryvar(softphase)}]] all" 599 622 600 623
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