Merge pull request #158 from tschoonj/tschoonj/issue157

Add new API: CS_FluorShell, CS_FluorShell_Kissel and friends

Author: tschoonj

.vscode/settings.json

@@ -5,7 +5,8 @@
         "array": "cpp",
         "string": "cpp",
         "string_view": "cpp",
-        "ranges": "cpp"
+        "ranges": "cpp",
+        "xraylib-error-private.h": "c"
     },
     "files.exclude": {
         "**/.classpath": true,

cplusplus/xraylib++.h

@@ -506,10 +506,22 @@ namespace xrlpp {
     _XRL_FUNCTION(CSb_FluorLine_Kissel_Nonradiative_Cascade)
     _XRL_FUNCTION(CS_FluorLine_Kissel_Radiative_Cascade)
     _XRL_FUNCTION(CSb_FluorLine_Kissel_Radiative_Cascade)
-    /* 1 int, 2 double */
+    _XRL_FUNCTION(CS_FluorShell_Kissel)
+    _XRL_FUNCTION(CSb_FluorShell_Kissel)
+    _XRL_FUNCTION(CS_FluorShell_Kissel_Cascade)
+    _XRL_FUNCTION(CSb_FluorShell_Kissel_Cascade)
+    _XRL_FUNCTION(CS_FluorShell_Kissel_no_Cascade)
+    _XRL_FUNCTION(CSb_FluorShell_Kissel_no_Cascade)
+    _XRL_FUNCTION(CS_FluorShell_Kissel_Nonradiative_Cascade)
+    _XRL_FUNCTION(CSb_FluorShell_Kissel_Nonradiative_Cascade)
+    _XRL_FUNCTION(CS_FluorShell_Kissel_Radiative_Cascade)
+    _XRL_FUNCTION(CSb_FluorShell_Kissel_Radiative_Cascade)
     _XRL_FUNCTION(CS_FluorLine)
-    _XRL_FUNCTION(CS_Photo_Partial)
     _XRL_FUNCTION(CSb_FluorLine)
+    _XRL_FUNCTION(CS_FluorShell)
+    _XRL_FUNCTION(CSb_FluorShell)
+    /* 1 int, 2 double */
+    _XRL_FUNCTION(CS_Photo_Partial)
     _XRL_FUNCTION(CSb_Photo_Partial)
     _XRL_FUNCTION(DCS_Compt)
     _XRL_FUNCTION(DCS_Rayl)

fortran/generate-code.py

@@ -39,6 +39,8 @@
     'JumpFactor': {'Z': int, 'shell': int},
     'CS_FluorLine': {'Z': int, 'line': int, 'E': float},
     'CSb_FluorLine': {'Z': int, 'line': int, 'E': float},
+    'CS_FluorShell': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell': {'Z': int, 'shell': int, 'E': float},
     'RadRate': {'Z': int, 'line': int},
     'ComptonEnergy': {'E0': float, 'theta': float},
     'Fi': {'Z': int, 'E': float},
@@ -66,6 +68,16 @@
     'CSb_FluorLine_Kissel_Radiative_Cascade': {'Z': int, 'line': int, 'E': float},
     'CS_FluorLine_Kissel_no_Cascade': {'Z': int, 'line': int, 'E': float},
     'CSb_FluorLine_Kissel_no_Cascade': {'Z': int, 'line': int, 'E': float},
+    'CS_FluorShell_Kissel': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell_Kissel': {'Z': int, 'shell': int, 'E': float},
+    'CS_FluorShell_Kissel_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell_Kissel_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CS_FluorShell_Kissel_Nonradiative_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell_Kissel_Nonradiative_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CS_FluorShell_Kissel_Radiative_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell_Kissel_Radiative_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CS_FluorShell_Kissel_no_Cascade': {'Z': int, 'shell': int, 'E': float},
+    'CSb_FluorShell_Kissel_no_Cascade': {'Z': int, 'shell': int, 'E': float},
     'PL1_pure_kissel': {'Z': int, 'E': float},
     'PL1_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float},
     'PL1_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float},