Changeset 1020
- Timestamp:
- Oct 6, 2010 2:46:08 PM (12 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
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branches/sandbox/readexp.tcl
r1018 r1020 505 505 # read atom-atom distance parameter 506 506 set dist {} 507 set item [string range $line $i1 $i1+3]507 set item [string range $line $i1 [expr {$i1+3}]] 508 508 if {$item == "DMAX"} { 509 set val [string range $line $i1+4 $i1+11]509 set val [string range $line [expr {$i1+4}] [expr {$i1+11}]] 510 510 set dist [string trim $val] 511 511 incr i1 13 … … 516 516 # read atom-atom-atom angle parameter 517 517 set ang {} 518 set item [string range $line $i1 $i1+3]518 set item [string range $line $i1 [expr {$i1+3}]] 519 519 if {$item == "DAGL"} { 520 set val [string range $line $i1+4 $i1+11]520 set val [string range $line [expr {$i1+4}] [expr {$i1+11}]] 521 521 set ang [string trim $val] 522 522 incr i1 13 … … 935 935 } 936 936 if {$value == "radii"} { 937 if {[string range $line $i2+7 $i2+10] == "DAGL"} {938 set line [string replace $line $i2+7 $i2+18"ARAD"]937 if {[string range $line [expr {$i2+7}] [expr {$i2+10}]] == "DAGL"} { 938 set line [string replace $line [expr {$i2+7}] [expr {$i2+18}] "ARAD"] 939 939 } else { 940 set line [string replace $line $i2+7 $i2+10"ARAD"]940 set line [string replace $line [expr {$i2+7}] [expr {$i2+10}] "ARAD"] 941 941 } 942 942 } else { 943 943 if ![validreal value 8 2] {return 0} 944 if {[string range $line $i2+7 $i2+10] == "DAGL"} {945 set line [string replace $line $i2+11 $i2+18$value]944 if {[string range $line [expr {$i2+7}] [expr {$i2+10}]] == "DAGL"} { 945 set line [string replace $line [expr {$i2+11}] [expr {$i2+18}] $value] 946 946 } else { 947 set line [string replace $line $i2+7 $i2+10"DAGL"]948 set line [string replace $line $i2+11 $i2+11"$value "]947 set line [string replace $line [expr {$i2+7}] [expr {$i2+10}] "DAGL"] 948 set line [string replace $line [expr {$i2+11}] [expr {$i2+11}] "$value "] 949 949 } 950 950 }
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