| 1 | <html> |
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| 2 | <head> |
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| 3 | <META NAME="Author" CONTENT="Brian H. Toby"> |
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| 4 | <title>EXPGUI Wish List</title> |
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| 5 | </head> |
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| 6 | <BODY BGCOLOR="#FFFFFF"> |
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| 7 | |
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| 8 | <A HREF=http://www.ncnr.nist.gov> |
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| 9 | <IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" |
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| 10 | alt="Link to NIST Center for Neutron Research home page" |
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| 11 | ALIGN=RIGHT></A> |
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| 12 | <A HREF=http://www.nist.gov> |
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| 13 | <IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" |
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| 14 | alt="Link to National Institute of Standards & Technology home page" |
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| 15 | ALIGN=LEFT></A> |
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| 16 | <CENTER> |
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| 17 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html"> |
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| 18 | <IMG SRC="tcltklogo100.gif" |
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| 19 | alt="Link to Tcl/Tk information"> |
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| 20 | </CENTER></A> |
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| 21 | <hr> |
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| 22 | |
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| 23 | <center><h1> |
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| 24 | EXPGUI Wish List<BR> |
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| 25 | New Features In Progress, Planned, or Requested |
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| 26 | </h1></center> |
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| 27 | <P> |
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| 28 | See the |
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| 29 | <A HREF="expgui.html">EXPGUI documentation</A> for a description of |
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| 30 | the current features. |
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| 31 | |
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| 32 | <H2>Planned</H2><DL> |
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| 33 | |
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| 34 | <DT> |
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| 35 | Change space group |
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| 36 | <DD> |
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| 37 | This will be implemented, along with an option to delete all atoms. |
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| 38 | |
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| 39 | <DT> |
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| 40 | Import Atoms |
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| 41 | <DD> |
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| 42 | The goal here will be to read in atoms and perhaps a unit cell and spacegroup |
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| 43 | from a some common file formats. I plan to use the .CEL format from PowderCell. |
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| 44 | CIF has also been requested. |
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| 45 | |
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| 46 | <DT> |
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| 47 | Transform Atoms |
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| 48 | <DD> |
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| 49 | I envision having a way to globally set values for groups of atoms, |
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| 50 | apply matrix transformations to coordinates, switch atoms between |
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| 51 | iso/aniso. |
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| 52 | |
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| 53 | |
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| 54 | <DT> |
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| 55 | Fixed background |
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| 56 | <DD> |
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| 57 | I do not like fixed background use, but agree that fixed points are useful |
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| 58 | for starting a fit. I would like to have a routine that fits a |
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| 59 | Chebeshev polynomial to a set of fixed points input by a user. |
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| 60 | |
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| 61 | <DT> |
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| 62 | Define background types |
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| 63 | <DD> |
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| 64 | I will look into a way to list the names of the functions in the GUI. |
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| 65 | |
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| 66 | </DL><H2>Brand New</H2><DL> |
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| 67 | |
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| 68 | <DT> |
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| 69 | Spherical Harmonic (ODF) Preferred Orientation |
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| 70 | <DD> |
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| 71 | done |
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| 72 | |
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| 73 | <DT> |
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| 74 | Delete phases |
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| 75 | <DD> |
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| 76 | Instead -- change phase flags on the histogram page (appears when 2+ phases |
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| 77 | present). |
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| 78 | |
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| 79 | |
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| 80 | |
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| 81 | </DL> |
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| 82 | <p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>) |
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| 83 | <br> |
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| 84 | $Revision: 241 $ $Date: 2009-12-04 23:02:45 +0000 (Fri, 04 Dec 2009) $ |
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| 85 | </body> |
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| 86 | </html> |
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