added questions.md + some perl wrapper development

Author: bruceravel

perl/Makefile.PL

@@ -22,12 +22,12 @@ WriteMakefile(
 	      NAME              => 'Xray::XDI',
 	      VERSION_FROM      => 'lib/Xray/XDI.pm', # finds $VERSION
 	      PREREQ_PM         => {
-				    Inline             => 0.5,
-				    Inline::C          => 0.62,
-				    Moose              => 2.06,
-				    'MooseX::NonMoose' => 0.22,
-				    'MooseX::Aliases'  => 0.10,
-				    'MooseX::Clone'    => 0.05,
+				    Inline           => 0.5,
+				    Inline::C        => 0.62,
+				    Moose            => 2.06,
+				    MooseX::NonMoose => 0.22,
+				    MooseX::Aliases  => 0.10,
+				    MooseX::Clone    => 0.05,
 				   },
 	      ($] >= 5.005 ?     ## Add these new keywords supported since 5.005
 	       (ABSTRACT_FROM  => 'lib/Xray/XDI.pm', # retrieve abstract from module

perl/lib/Xray/XDIFile.pm

@@ -76,17 +76,19 @@ Newx should have this comment block explaining it:
     Allocate memory with Newx if it's available - if it's an older
     perl that doesn't have Newx then we resort to using New.
 
-
 Regarding INT2PTR, see
 Lhttp://www.mail-archive.com/inline%40perl.org/msg02689.html>.  The
 use of PTR2IV in new was the result of trial and error, rather than
 deep understanding.
 
-
 =over 4
 
 =item *
 
+No way to push values from perl into the stuct
+
+=item *
+
 Error handling is primitive
 
 =item *

specification/dictionary.md

@@ -332,15 +332,6 @@ versions of this dictionary.
      * _Units_: none
      * _Format_: free-format string
 
-#### Outstanding issues
-
-This is one of the areas for which James advocated the use of tables
-in order to capture a full complement of information about the
-detectors.  For example, an ion chamber might be identified by by any
-or all of length, gas content, voltage, gap, gas pressure, dark
-current offset, and details (shaping time, amplification, etc.) about
-the signal chain behind the detector.
-
 
 ## Defined items in the Sample namespace
 
@@ -554,13 +545,6 @@ voltage on a themocouple might be labeled as
 
         # Column.N: thermocouple millivolts
 
-#### Outstanding issues
-
-Is a file non-compliant if the `Column` fileds are missing?  Is it
-non-compliant if the number of `Column` fields is different from the
-number of columns?  Is it non-compliant if the `Column` field values
-are different from the words in the column label line at the end of
-the header?
 
 
 ## Extension fields

specification/questions.md

@@ -0,0 +1,70 @@
+Questions on the XAS Data Interchange Format Draft Specification, version 1.0
+=============================================================================
+
+XDI Working Group
+-----------------
+
+  * Matthew NEWVILLE (University of Chicago Center for Advanced Radiation Sources, APS)
+  * Bruce RAVEL (NIST) [bravel AT bnl DOT gov](mailto:[email protected])
+  * V. Armando SOLÉ (ESRF)
+  * Gerd WELLENREUTHER (DESY)
+  * [mailing list - http://millenia.cars.aps.anl.gov/mailman/listinfo/xasformat](http://millenia.cars.aps.anl.gov/mailman/listinfo/xasformat)
+  * [GitHub organization - https://github.com/XraySpectroscopy](https://github.com/XraySpectroscopy)
+
+# Introduction
+
+This document contains questions about the XAS Data Interchange Format
+(XDI), version 1.0, a simple file format for a single X-ray Absorption
+Spectroscopy (XAS) measurement.  These are questions that should be
+resolved prior to the announcement if the 1.0 release.
+
+This document is an effort of an *ad hoc* working group
+reporting to the
+[International X-ray Absorption Society (IXAS)](http://www.ixasportal.net/)
+and the
+[XAFS Commission of International Union of Crystallography (IUCr-XC)](http://www.iucr.org/resources/commissions/xafs).
+The charge of this working group is to propose standards for the
+storage and dissemination of XAS and related data.
+
+
+# Questions
+
+## Regarding the dictionary definition of the Detector namespace
+
+Items in this namespace are an area for which James advocated the use
+of tables in order to capture a full complement of information about
+the detectors.  For example, an ion chamber might be identified by by
+any or all of length, gas content, voltage, gap, gas pressure, dark
+current offset, and details (shaping time, amplification, etc.) about
+the signal chain behind the detector.
+
+
+## Regarding the dictionary definition of the Column namespace
+
+Is a file non-compliant if the `Column` fileds are missing?  Is it
+non-compliant if the number of `Column` fields is different from the
+number of columns?  Is it non-compliant if the `Column` field values
+are different from the words in the column label line at the end of
+the header?
+
+## Regarding XDI files containing data as chi(k), chi(R), or Filtered[chi(k)]
+
+The table of array labels in the dictionary has entries for chi(k) and
+chi(R).  It seems the `k` and `r` columns should have units.  For `k`,
+this is presumably inverse Angstroms.  For `r`, Angstroms, picometers,
+or nanometers (with Angstroms preferred).
+
+Some questions:
+
+1. Should Angstrom be spelled with or without diacritic marks over the
+   "A" and "o"?
+
+2. And should "inverse Angstrom" be two words with a space between, or
+   a single word (either concatinated or with an underscore)?
+
+Regarding 1, I suggest recognizing `[ÅåAa]ngstr[öo]m`
+
+Regarding 2, The explanation of values with units in the dictionary,
+as written, is ambiguous as to whether the string explaning the units
+is a single word or may be multiple words.  I propose "inverse
+Angstrom" with the multiple spelling of Angstrom suggested above.