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Timestamp:
Dec 4, 2009 5:04:28 PM (11 years ago)
Author:
toby
Message:

# on 2000/10/18 00:11:17, toby did:
move utilites
organize

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1 edited

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  • trunk/doc/expguierr.html

    • Property rcs:date changed from 2000/10/12 21:15:58 to 2000/10/18 00:11:17
    • Property rcs:rev changed from 1.1 to 1.2
    • Property rcs:lines set to +110 -70
    r316 r343  
    1919alt="Link to Tcl/Tk information">
    2020</CENTER></A>
     21<br clear=all>
    2122<hr>
    2223
     
    2627
    2728<center><h1>
    28 EXPGUI Dialogs, Warnings and Error Messages
     29EXPGUI Informational, Warning and Error Messages
    2930</h1></center>
    3031This page contains additional information about various warning
     
    3233for a number of utility functions.
    3334
     35<H2>Informational Messages</H2>
    3436<a name="Overwrite"></a>
    3537<h3>File has been modified...</h3>
     
    8789</DL></DL>
    8890
    89 <br clear=all>
    90 <a name="ConvertUnix"></a>
    91 <h3>Unix File Conversions</h3>
    92 <DL><DL>
    93 In UNIX, GSAS data, experiment and instrument parameter files are expected to
    94 have a format with exactly 80 characters per line and no line
    95 separators (no carriage returns or linefeeds). Files in this format
    96 are called "Direct Access". Normal UNIX files may have any number
    97 of characters per line and every line is terminated by a line feed character.
    98 These files are called "sequential".
    99 EXPGUI uses the convention that all uppercase is used for Direct Access files
    100 while all lowercase is used for sequential files.
    101 <P>
    102 The Unix File Conversion menu is used to convert sequential files to
    103 direct access for use in GSAS or to convert direct access files to
    104 sequential, for use in standard UNIX programs, such as editors or e-mail.
    105 </DL></DL>
    106 
    107 <br clear=all>
    108 <a name="ConvertWin"></a>
    109 <h3>Windows File Conversions</h3>
    110 <DL><DL>
    111 In Windows, GSAS data, experiment and instrument parameter files are
    112 expected to have a format with exactly 80 characters per line followed
    113 by a carriage returns and a linefeed (82 characters total per line).
    114 Files in this format can be read in "Direct Access" mode. The Convert menu
    115 in windows can be used to convert files into this format (it can also
    116 convert UNIX direct access files correctly). The original version of the
    117 file is retained and renamed.
    118 <P>
    119 </DL></DL>
    120 
    121 <br clear=all>
    122 <a name="Composition"></a>
    123 <h3>Compute Composition</h3>
    124 <DL><DL>
    125 The composition box shows the unit cell and asymmetric unit composition
    126 for all phases in a material. Site multiplicities and occupancies are
    127 taken into account.
    128 </DL></DL>
    129 
    130 <br clear=all>
    131 <a name="ExportMSI"></a>
    132 <h3>Export coordinates in MSI .xtl format</h3>
    133 <DL><DL>
    134 The Export/exp2xtl routine writes a .xtl file, as is used in Insight-II and
    135 Cerius2 (Molecular Simulations, Inc.). Note that spacegroups are not named
    136 exactly the same in the two programs and the origin may need to be specified
    137 as "origin 2", for spacegroups where the center of symmetry is not at the
    138 origin. It is up to the user to get things right.
    139 </DL></DL>
    140 
    141 <br clear=all>
    142 <a name="DeleteHistoryRecords"></a>
    143 <h3>Delete History Records</h3>
    144 <DL><DL>
    145 Every time a GSAS program (including EXPGUI) is run, an entry is added to
    146 the "history records" in the .EXP file. After 999 entries have been written,
    147 no more can be added to the file. Further, reading large numbers of history
    148 records can slow the GSAS programs
    149 (this is less of a problem on faster computers). For these reasons, it may be
    150 a good idea to prune the older history records from the file. If more than 100
    151 history records are found in an experiment file, EXPGUI suggests that the
    152 older history entries be deleted. Alternately the File/EraseHistory command
    153 can be used to invoke the this option.
    154 <P>
    155 On the dialog the number of history records to be retained is specified.
    156 Also, after records have been deleted, the remaining records can be renumbered
    157 starting with 1, so that the 999 record limit is not reached.
    158 </DL></DL>
    159 
    160 <br clear=all>
    161 <a name="AbandonAtomConstraints"></a>
    162 <h3>Abandoning Constraint Editing</h3>
    163 <DL><DL>
    164 If the "Cancel Changes" button is pressed when
    165 a profile or atom contraint is being edited or created, a message saying
    166 "Do you want to lose any changes made to this constraint?" is displayed, even
    167 if no changes have been made to the constraint. Changes are recorded only when the
    168 "Save" button is pressed.
    169 </DL></DL>
     91
    17092
    17193<br clear=all>
     
    182104</DL></DL>
    183105
     106
     107<br clear=all>
     108<a name="open"></a>
     109<h3>Open Experiment File</h3>
     110<DL><DL>
     111The Open Experiment windows is displayed to select a
     112experiment file to read or write, as well as a
     113directory to use. When the message at the top reads
     114"Select an experiment file to read" either an
     115existing experiment file should be selected, or a new
     116name may be typed in at the box at the bottom to enter
     117a name manually. If the file is not found,
     118you will be warned and given the option of
     119creating a new experiment with that name.
     120
     121When the message at the top reads
     122"Select an experiment file to create",
     123typically after a "Save as" command,
     124the directory may be changed, but typically
     125a file name will be typed into the bottom box.
     126If the file exists, you will be warned before the
     127file is overwritten and you will have the option
     128to enter a different file name.
     129
     130Note that the files in the list can be sorted
     131alphabetically or can be sorted by the date the
     132experiment file was last modified, according to
     133the checkbuttons to the upper right.
     134</DL></DL>
     135
     136<H2>Warning Messages</H2>
     137
     138<br clear=all>
     139<a name="AbandonAtomConstraints"></a>
     140<h3>Abandoning Constraint Editing</h3>
     141<DL><DL>
     142If the "Cancel Changes" button is pressed when
     143a profile or atom contraint is being edited or created, a message saying
     144"Do you want to lose any changes made to this constraint?" is displayed, even
     145if no changes have been made to the constraint. Changes are recorded only when the
     146"Save" button is pressed.
     147</DL></DL>
     148
     149
     150<br clear=all>
     151<a name="OpenErr"></a>
     152<h3>File ... does not exist in ...</h3>
     153<DL><DL>
     154When an attempt is made to open a file that does not
     155already exists, for example when the EXPNAM command
     156is used, this warning is displayed. The answer can be
     157"Select other" or "Create", where "Select other" will
     158return you to a file selection dialog and "Create"
     159will create a new dialog with this name.
     160</DL></DL>
     161
     162<br clear=all>
     163<a name="OverwriteErr"></a>
     164<a name="OverwriteCnv"></a>
     165<h3>File ... already exists in ... OK to overwrite?</h3>
     166<DL><DL>
     167When an attempt is made to using the File/"Save As"
     168command to write the current experiment file
     169with a new name, but
     170a file with the newly specified name already exists,
     171this message is displayed. Choose "Select other"
     172to specify a different file name or "Overwrite"
     173to use this name in which case the older file
     174is replaced.
     175<P>
     176A similar warning will occur in UNIX when converting files.
     177If the intended output filealready exists,
     178this message is displayed. Choose "Cancel"
     179to specify a different file name or "Overwrite"
     180to use this name in which case the older file
     181is replaced.
     182This message can be seen in Windows when converting files,
     183for slightly different reasons. When files are converted, the
     184converted file keeps the same name as the original version. However,
     185th original file is renamed to XXXX.ord, where XXXX.YYY is the
     186original file name. If a file named XXXX.ord already exists, this message
     187is displayed.
     188</DL></DL>
     189
     190<H2>Error Messages</H2>
     191
     192<br clear=all>
     193<a name="NoPGPLOT"></a>
     194<h3>Unable to find file GRFONT.DAT...</h3>
     195<DL><DL>
     196The file <tt>grfont.dat</tt> is expected to be in the ...\gsas\fonts directory
     197in DOS/Windows platforms and files <tt>grfont.dat</tt> and
     198<tt>pgxwin_server</tt> are expected to be found in the .../gsas/pgl directory
     199in UNIX. If these files cannot be found, GSAS will not be able to produce
     200graphics in programs such as POWPLOT, RAWPLOT,...
     201If GSAS and EXPGUI are correctly installed this error will not occur
     202(see the installation notes for
     203<A HREF="expgui_Win_readme.html">Windows</A>
     204and
     205<A HREF="expgui_Unix_readme.html">UNIX</A>.
     206
     207</DL></DL>
     208
     209<br clear=all>
     210<a name="ConvNotFound"></a>
     211<h3>Sorry, file ... not found in ...</h3>
     212<DL><DL>
     213The specifed input file was not found for conversion
     214</DL></DL>
     215
     216<br clear=all>
     217<a name="ConvSameName"></a>
     218<h3>Sorry, filenames must differ</h3>
     219<DL><DL>
     220For UNIX file conversions, the input and output file names
     221must be different. You have specifed the same name twice.
     222</DL></DL>
     223
    184224<br clear=all>
    185225<a name=""></a>
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