From 0a3334e5f8da1b9380a67d7055fa1a1c6b8a12e7 Mon Sep 17 00:00:00 2001 From: Sparks29032 Date: Tue, 11 Jun 2024 13:29:44 -0400 Subject: [PATCH 1/4] Downloads landing page (do not put in toctree) --- doc/manual/source/tutorialfiles.rst | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 doc/manual/source/tutorialfiles.rst diff --git a/doc/manual/source/tutorialfiles.rst b/doc/manual/source/tutorialfiles.rst new file mode 100644 index 00000000..eee9501b --- /dev/null +++ b/doc/manual/source/tutorialfiles.rst @@ -0,0 +1,8 @@ +Download Tutorial Files Here +############################ + +Quick start tutorial data: +:download:`tutorialData.zip <../../../tutorial/tutorialData.zip>` + +Extra tutorial data: +:download:`additionalData.zip <../../../tutorial/additionalData.zip>` From 1dd17cb6839718fcb2461c4cf6d60869c932c892 Mon Sep 17 00:00:00 2001 From: Sparks29032 Date: Tue, 11 Jun 2024 13:31:28 -0400 Subject: [PATCH 2/4] Update copyright --- LICENSE.txt | 2 +- doc/manual/source/conf.py | 2 +- doc/manual/source/license.rst | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/LICENSE.txt b/LICENSE.txt index 77e7af79..78f068c2 100644 --- a/LICENSE.txt +++ b/LICENSE.txt @@ -1,7 +1,7 @@ This program is part of the DiffPy open-source project at Columbia University and is available subject to the conditions and terms laid out below. -Copyright © 2009-2019, Trustees of Columbia University in the City of New York, +Copyright © 2009-2024, Trustees of Columbia University in the City of New York, all rights reserved. For more information please visit the diffpy web-page at http://diffpy.org or diff --git a/doc/manual/source/conf.py b/doc/manual/source/conf.py index 224ee995..772d2036 100644 --- a/doc/manual/source/conf.py +++ b/doc/manual/source/conf.py @@ -21,7 +21,7 @@ project = "PDFmorph" project_full = "diffpy.pdfmorph" -copyright = "2009-2019, Trustees of Columbia University in the City of New York, all rights reserved." +copyright = "2009-2024, Trustees of Columbia University in the City of New York, all rights reserved" author = "Chris Farrow, Christopher J. Wright, Pavol Juhás, Chia-Hao (Timothy) Liu, S. Matthew Román, Simon J.L. Billinge" # The full version, including alpha/beta/rc tags diff --git a/doc/manual/source/license.rst b/doc/manual/source/license.rst index 826133d5..01167831 100644 --- a/doc/manual/source/license.rst +++ b/doc/manual/source/license.rst @@ -5,7 +5,7 @@ This program is part of the DiffPy open-source project at Columbia University and is available subject to the conditions and terms laid out below. -Copyright © 2009-2019, Trustees of Columbia University in the City of +Copyright © 2009-2024, Trustees of Columbia University in the City of New York, all rights reserved. For more information please visit the diffpy web-page at From be76b7d18c8fe3af427979c8ffea45ea57f81634 Mon Sep 17 00:00:00 2001 From: Sparks29032 Date: Tue, 11 Jun 2024 13:40:40 -0400 Subject: [PATCH 3/4] Updated morphMultiple PDF parameters --- doc/manual/source/quickstart.rst | 7 ++++--- tutorial/additionalData.zip | Bin 1226667 -> 1225871 bytes 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/doc/manual/source/quickstart.rst b/doc/manual/source/quickstart.rst index 06e76455..c188673f 100644 --- a/doc/manual/source/quickstart.rst +++ b/doc/manual/source/quickstart.rst @@ -211,10 +211,11 @@ selected directory and plot resulting :math:`R_w` values from each morph. 3. After running this, we get chart of Rw values for each target file. However, this chart can be a bit confusing to interpret. To get a more understandable plot, run :: - pdfmorph SrFe2As2_150K.gr . --multiple --temperature + pdfmorph SrFe2As2_150K.gr . --multiple --sort-by=temperature - The temperature option can be used when our files end in ``_#K.gr`` or ``_#K.cgr`` where ``#`` - is a temperature (float value). When enabled, PDFmorph will plot Rw values against the temperatures. + This plots the Rw against the temperature parameter value provided at the top of each file. + Parameters are entries of the form `` = `` and are located + above the ``r`` versus ``gr`` table in each PDF file. 4. Between 192K and 198K, the Rw has a sharp increase, indicating that we may have a phase change. To confirm, let us now apply morphs onto ``SrFe2As2_150K.gr`` with all other files in ``morphMultiple`` as targets :: diff --git a/tutorial/additionalData.zip b/tutorial/additionalData.zip index 7a13b0fb3ee64d615230f275be4a6221657656cd..8a87c8aa67d8d7c58bbbd2c12a4d8a47034734b1 100644 GIT binary patch delta 1407 zcmZ4e-mCwmmt251Gm8iV2pp_=76xWO30WXLU0{Qdh+b4ZuT!KwJ21;|ezMt{t3}*u)Jta_zt-F20I;CpPhai+EmQ z6BnJs8;nhS+7!NCY~q2v{7FAV&|_2z7D!4FTPLJ2U4DZQD=hY>|6L~}Cj^Rq5MX3b0Fu@~3{FpQMd9m( z^w1O?1EwcbMF%kzJ^aXsrbv4OhDl3aF`+4%im9maF*BN?|Cow6?y#UK%G`)y-K;CD zXo@alDv~|RhNj4N6NX93$Jo&nEyq-pw~qr&k>F+wlM=UcqA9AzRP=K_7n-7{n2Ii} z;6_vAzXij(6$^RL6z#-Rv|$!6nj+<`7$zxA=0j7|i>c^bH$R%9?^}iBl+aTrDA7ZJ z0Fa7r5rAj{W`XE!LW)A5EC2$KG&&tgdeb%`Z6Q#800D^fVhKUGZeZ>ZpRToCNJa>h jLqGtcX2v6g8eo2r6btZXWdliz0pT)s28PRPgn&E%W9Me6 delta 2232 zcmeBw>9zX3S7v}WGm8iV2rw(3jsP>DgdC7gOi9Ts$;{77%yCI9Nz_ND9s1 zJKgaZy9m2)X--LILC!==8DSd&YBrYS{2-`k^Zy@z2&>vI^@(u_5z6kqV%kT9vR#jv zGl)>;c!#B!2xXVAu%-~9EbJ`Xb0U<*9AnoZLfP_t99M`?HfuX)B@xPuHgN4ALK){u z?wv#^d$^G2B@xPA&f*OwLRs`=zFs1fvG?#N{ZN)fOUIfx(x`E8Mq)v#J}d)pFdVFT z7WRG)zxb)i3=Arjj10y&G%^NnKh+}ed9tuIZUxsQ1n-;_w#BJndcqbV$?Z=b3I0AQ zh>>Zhe^?`=;DeD-8JR>FAlV#SRs~uG1Oh-zC{s?CSt}%`2vP+Cj9{`2NTOMYlG&%H zuNBfm)1&YcyB<+!0gZ{oy(x5#6=jHi;EK7#MhZnZWKuxWMZZ zBYqdiuETJF%xfn6dMYsWa6DngujewRo_Tjz@axfAkKs1^tE~9-bYkkcc$N*no+p@k zo*iSyug87^hT9zWbKuuA3saBN4o>`fzGCWmxq%D6o`8)QZacq{8^4~_n0mG?;=!+n zZ4-t)XJ_-`*OQ2;$8QQBem#3I^>Fs`(lwLJB;;%=o0zob2fr*9r;i<^~pBS$&d$L1YID1E@Fy0f;HwQi8bb mWZNQStOzRGKmeke{|Qdjz>-dpPn Date: Tue, 11 Jun 2024 13:45:20 -0400 Subject: [PATCH 4/4] Sort-by --- doc/manual/source/quickstart.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/manual/source/quickstart.rst b/doc/manual/source/quickstart.rst index c188673f..0e4c7b41 100644 --- a/doc/manual/source/quickstart.rst +++ b/doc/manual/source/quickstart.rst @@ -220,7 +220,7 @@ selected directory and plot resulting :math:`R_w` values from each morph. To confirm, let us now apply morphs onto ``SrFe2As2_150K.gr`` with all other files in ``morphMultiple`` as targets :: - pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --multiple --temperature + pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --multiple --sort-by=temperature Note that we are not applying a smear since it takes a long time to apply and does not significantly change the Rw values in this example.