Changeset 1119 for branches/sandbox/gsascmds.tcl

Timestamp:

Mar 23, 2011 4:57:24 PM (13 years ago)

Author:

toby

Message:

conflicted

File:

• branches/sandbox/gsascmds.tcl (modified) (5 diffs)

branches/sandbox/gsascmds.tcl

@@ -2696 +2696 @@
     return
 }
+<<<<<<< .mine
 
 proc ScanEXPforError {"ns {}"} {
@@ -2705 +2706 @@
     foreach key [array names ${ns}::exparray] {
         if {[string first "***" [set ${ns}::exparray($key)]] != -1 || 
+            [string first "#IN" [set ${ns}::exparray($key)]] != -1 ||
             [string first "nan" [set ${ns}::exparray($key)]] != -1 ||
             [string first "NAN" [set ${ns}::exparray($key)]] != -1 
@@ -2720 +2722 @@
                 foreach str [list [string range [set ${ns}::exparray($key)] 0 49] 
                              [string range [set ${ns}::exparray($key)] 58 end]] {
-                    if {[string first "***" $str] || [string first "nan" $str] || [string first "NAN" $str]} {
+                    if {[string first "***" $str] || 
+                        [string first "#INF" $str] || 
+                        [string first "nan" $str] || 
+                        [string first "NAN" $str]} {
                         append warn "  Record \"$key\": [set ${ns}::exparray($key)]\n"
                         lappend badkeylist $key
@@ -2833 +2838 @@
 }
 
+=======
+
+proc ScanEXPforError {"ns {}"} {
+    # record types to ignore
+    set ignorelist {DESCR HSTRY PNAM HNAM "REFN STATS"}
+    set warn {}
+    set badkeylist {}
+    # scan file for warnings
+    foreach key [array names ${ns}::exparray] {
+        if {[string first "***" [set ${ns}::exparray($key)]] != -1 || 
+            [string first "nan" [set ${ns}::exparray($key)]] != -1 ||
+            [string first "NAN" [set ${ns}::exparray($key)]] != -1 
+        } {
+            #puts [set ${ns}::exparray($key)]
+            set OK 0
+            foreach i $ignorelist {
+                if {[string first $i $key] != -1} {
+                    set OK 1
+                    break
+                }
+            }
+            # ignore atom name section of Atom records
+            if {(! $OK) && [string match  "CRS*AT*A" $key]} {
+                foreach str [list [string range [set ${ns}::exparray($key)] 0 49] 
+                             [string range [set ${ns}::exparray($key)] 58 end]] {
+                    if {[string first "***" $str] || [string first "nan" $str] || [string first "NAN" $str]} {
+                        append warn "  Record \"$key\": [set ${ns}::exparray($key)]\n"
+                        lappend badkeylist $key
+                        break
+                    }
+                }
+                continue
+            }
+            if {! $OK} {
+                append warn "  Record \"$key\": [set ${ns}::exparray($key)]\n"
+                lappend badkeylist $key
+            }
+        }
+    }
+    if {$warn == ""} return
+    set hint ""
+    set unknown ""
+    foreach key $badkeylist {
+        if {[string match  "CRS*AT*" $key]} {
+            if {[string first "atomic parameter" $hint] == -1} {
+                append hint "\t* An atomic parameter (coordinate, occupancy or U) appears out of range\n"
+            }
+        } elseif {[string match  "CRS*ABC*" $key] || 
+                  [string match  "CRS*ANGLES*" $key] || 
+                  [string match  "CRS*CELVOL*" $key]} {
+            if {[string first "cell parameter" $hint] == -1} {
+                append hint "\t* A unit cell parameter appears out of range\n"
+            }
+        } elseif {[string match  "CRS*ODF*" $key]} {
+            if {[string first "spherical harmonic" $hint] == -1} {
+                append hint "\t* A spherical harmonic (ODF) parameter appears out of range\n"
+            }
+        } elseif {[string match  "HST*ICONS" $key]} {
+            if {[string first "diffractometer constant" $hint] == -1} {
+                append hint "\t* A diffractometer constant (wave, DIFC,...) appears out of range\n"
+            }
+        } elseif {[string match  "HST*TRNGE" $key]} {
+            if {[string first "histogram data range" $hint] == -1} {
+                append hint "\t* A histogram data range value appears out of range\n"
+            }
+        } elseif {[string match "*GNLS  RUN*" $key] || 
+                  [string match "*GNLS SHFTS" $key] ||
+                  [string match "HST*RPOWD" $key] ||
+                  [string match " REFN RPOWD " $key] ||
+                  [string match " REFN GDNFT " $key]
+              } {
+            if {[string first "refinement statistics" $hint] == -1} {
+                append hint "\t* The refinement statistics imply the last refinement diverged\n"
+            }
+        } else {
+            lappend unknown $key
+        }
+    }
+    if {$unknown != ""} {
+        append hint "\t* The following less common problem record(s) appear out of range:\n\t\t"
+        foreach key $unknown {
+            append hint "\"" [string trim $key] "\" "
+        }
+    }
+    return "Likely error(s) noted:\n$hint\nDetails of problem(s):\n$warn"
+}
+
+proc ExplainEXPerror {parent message file} {
+    if {$parent == "."} {
+        set w .experr
+    } else {
+        set w $parent.experr
+    }
+    catch {destroy $w}
+    toplevel $w -class Dialog
+    wm title $w "Corrupt .EXP file"
+    wm iconname $w Dialog
+    wm protocol $w WM_DELETE_WINDOW { }
+    # Make the message box transient if the parent is viewable.
+    if {[winfo viewable [winfo toplevel $parent]] } {
+        wm transient $w $parent
+    } 
+    frame $w.bot
+    pack $w.bot -side bottom -fill both
+    frame $w.top
+    pack $w.top -side top -fill both -expand 1
+    frame $w.msg
+    pack $w.msg -in $w.top -side right -expand 1 -fill both -padx 3m -pady 3m
+    set txt {Likely errors were noted when reading this file}
+    append txt " ([file tail $file]). "
+    append txt "These problems probably\narose from the last refinement, "
+    append txt "based on settings applied in the previous saved file.\n"
+    append txt "It is probably not possible to continue with this file.\n"
+    append txt "You likely need to revert at least two archived versions back."
+    grid [label $w.msg.s -text $txt -justify left] -row 0 -column 0 -sticky nws
+    grid [button $w.msg.1 -text Help -bg yellow \
+              -command "MakeWWWHelp expgui.html badexp"] -row 0 -column 1 -columnspan 2 -sticky ne
+    bind $w <Key-F1> "MakeWWWHelp expgui.html badexp"
+    set filelist [lsort -dictionary -decreasing \
+                      [glob -nocomplain \
+                           [file root $file.O* ]]]
+    grid [text  $w.msg.t -font {Times 12} \
+              -height 10 -width 90 -relief flat -wrap word \
+              -yscrollcommand "$w.msg.rscr set" \
+             ] -row 1 -column 0  -columnspan 2 -sticky news
+    grid [scrollbar $w.msg.rscr  -command "$w.msg.t yview" \
+             ] -row 1 -column 2 -sticky ns
+    # give extra space to the text box
+    grid columnconfigure $w.msg 0 -weight 1
+    grid rowconfigure $w.msg 1 -weight 1
+    $w.msg.t insert end $message
+    button $w.ok -command [list destroy $w] -text OK -default active
+    pack $w.ok -in $w.bot -side left -expand 1 -padx 3m -pady 2m
+    putontop $w
+    tkwait window $w
+    afterputontop
+}
+
+>>>>>>> .r1118
 proc UpdateInfoBox {} {
     global expgui
@@ -3712 +3856 @@
     global expgui
     if {$expgui(MacroChanged)} {
+
         set ans [MyMessageBox -parent $txt -title "Save macro file?" \
                      -message "Macro file has been changed, do you want to save it?" \