Merge pull request #48 from XraySpectroscopy/allow_neg_data

Allow negative  data

Author: newville

c/xdifile.c

@@ -241,6 +241,7 @@ XDI_readfile(char *filename, XDIFile *xdifile) {
     }
   }
   nheader = i+1;
+  if (nheader < 1) {nheader = 1;}
   xdifile->meta_families = calloc(nheader, sizeof(char *));
   xdifile->meta_keywords = calloc(nheader, sizeof(char *));
   xdifile->meta_values   = calloc(nheader, sizeof(char *));
@@ -410,6 +411,7 @@ XDI_readfile(char *filename, XDIFile *xdifile) {
   npts_ = ilen - nheader + 1;
 
   nouter = npts_ - 1;
+  if (nouter < 1) {nouter = 1;}  
   outer_arr = calloc(nouter, sizeof(double));
   outer_pts = calloc(nouter, sizeof(long));
   outer_arr[0] = outer_arr0;
@@ -422,7 +424,7 @@ XDI_readfile(char *filename, XDIFile *xdifile) {
   COPY_STRING(xdifile->filename, filename);
 
   maxcol++;
-
+  if (ncols < 1) {ncols = 1;}
   xdifile->array_labels = calloc(ncols, sizeof(char *));
   xdifile->array_units  = calloc(ncols, sizeof(char *));
   has_energy = 0;
@@ -446,6 +448,7 @@ XDI_readfile(char *filename, XDIFile *xdifile) {
 
   /* set size of data arrays */
   xdifile->array = calloc(ncols, sizeof(double *));
+  if (npts_ < 0) {npts_ = 0;}  
   for (j = 0; j < ncols; j++) {
     xdifile->array[j] = calloc(npts_+1, sizeof(double));
     if (0 != xdi_strtod(words[j], &dval)) {
@@ -546,6 +549,7 @@ XDI_readfile(char *filename, XDIFile *xdifile) {
   xdifile->narrays = ncols;
   xdifile->narray_labels = min(ncols, maxcol);
   xdifile->nmetadata = ndict+1;
+  if (iouter < 1) {iouter = 1;}  
   xdifile->outer_array    = calloc(iouter, sizeof(double));
   xdifile->outer_breakpts = calloc(iouter, sizeof(long));
   for (j= 0; j < iouter; j++) {

c/xdifile.h

@@ -99,7 +99,7 @@ _EXPORT(void) XDI_cleanup(XDIFile *xdifile, long err);
 /* #define FAMILYNAME "(?i)^[a-z_][a-z0-9_]+$" */
 /* #define KEYNAME    "(?i)^[a-z0-9_]+$" */
 
-#define DATALINE "^([ \\t]*[0-9\\.])"
+#define DATALINE "^([ \\t]*[-+]*?[0-9\\.])"
 
 /* Notes:
    1. The absorption edge must be one of those listed in ValidEdges below

data/nonxafs_negvalues.xdi

@@ -0,0 +1,23 @@
+# XDI/1.1 
+# Scan.start_time: 2015-04-13 10:36:55
+# Column.1: X
+# Column.2: Y      
+# Column.3: Z
+# Mono.d_spacing: 3.13477
+# Facility.Ring_Lifetime: 9.2  ||  S:SRlifeTimeHrsCC.VAL
+# Facility.Ring_Current: 102.1  ||  S:SRcurrentAI.VAL
+# Facility.xray_source: undultaor, 3.6 cm period, 2.1 m length
+# Facility.name: Advanced Photon Source
+# Beamline.name: GSECARS, 13-ID-E
+#--------------
+#   X     Y       Z
+ -0.500  0.150   1.000
+ -0.400  0.250   1.000
+ -0.300  0.350   2.000
+ -0.200  0.470   3.500
+ -0.100  0.520   3.800
+  0.000  0.550   4.100
+  0.200  0.590   4.400
+  0.300  0.660   4.300
+  0.400  0.710   3.900
+  0.500  0.720   3.600