diff --git a/.gitignore b/.gitignore index 2a087b7d..36ed155a 100644 --- a/.gitignore +++ b/.gitignore @@ -90,5 +90,7 @@ ENV/ # pycharm .idea/ +# Mac +.DS_Store # Rever rever/ diff --git a/diffpy/pdfmorph/pdfmorphapp.py b/diffpy/pdfmorph/pdfmorphapp.py index c86aa1a5..15b64545 100755 --- a/diffpy/pdfmorph/pdfmorphapp.py +++ b/diffpy/pdfmorph/pdfmorphapp.py @@ -58,7 +58,8 @@ def createOptionParser(): group = optparse.OptionGroup(parser, "Manipulations", """These options select the manipulations that are to be applied to the PDF from FILE1. The passed values will be refined unless specifically -excluded with the -a or -x options.""") +excluded with the -a or -x options. If no option is specified, the PDFs from FILE1 and FILE2 will +be plotted without any manipulations.""") parser.add_option_group(group) group.add_option('-a', '--apply', action="store_false", dest="refine", help="Apply manipulations but do not refine.") diff --git a/doc/source/index.rst b/doc/source/index.rst index 713ca397..51f252e1 100644 --- a/doc/source/index.rst +++ b/doc/source/index.rst @@ -20,7 +20,7 @@ scale due to differences in incident flux, for example. ``PDFmorph`` will do its best to correct for these benign effects before computing and plotting the difference curve. One measured PDF (typically that collected under higher temperature) is identified as the target PDF and -the second PDF is then morphed by "stretching" (chaning the r-axis to +the second PDF is then morphed by "stretching" (changing the r-axis to simulate a uniform lattice expansion), "smearing" (broadening peaks through a uniform convolution to simulate increased thermal motion), and "scaling" (self-explanatory). PDFmorph will vary the amplitude of the @@ -29,6 +29,8 @@ the target PDFs, then plot them on top of each other with the difference plotted below. There are also a few other morphing transformations in the program. +If no morphing transformation is specified, ``PDFmorph`` will return just +the plotted PDFs. Finally, we note that though ``PDFmorph`` should work on other spectra that are not PDFs, it has not been extensively tested beyond the PDF.