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--- out_with_suffix [2014/05/07 13:22] – created martin_fisch
+++ out_with_suffix [2025/09/19 15:18] (current) – external edit 127.0.0.1
@@ Line 1: / Line 1: @@
+====== Out_with_suffix ======
+Description: Versatile output macro for multipattern .inp files.
+Comment:
+In complex input files with many diffraction patterns (e.g. parametric ones), a different output is needed for e.g. each temperature.\\ Assuming there is consistent naming of parameters of interest, this can be done easier by using a macro for the output, in which the suffixes of the parameter names can be easily changed.
+Contributed by: Martin Fisch
+<code topas>
+xdd Scan_100.raw ' measured at 100 °C
+str
+phase_name "PhaseX"
+a lp_a_Phase_X_100 5
+b lp_b_Phase_X_100 5
+c lp_c_Phase_X_100 5
+scale scale_PhaseX_100 0.00001
+.....
+out Output.txt append
+Out(Get(xdd_path_name, "\n%s\t")
+Out( lp_a_Phase_X_100 , "%11.5f\t", "%11.5f\t")
+Out( lp_b_Phase_X_100 , "%11.5f\t", "%11.5f\t")
+Out( lp_c_Phase_X_100 , "%11.5f\t", "%11.5f\t")
+.....
+xdd Scan_200.raw ' measured at 200 °C
+str
+phase_name "PhaseX"
+a lp_a_Phase_X_200 6
+b lp_b_Phase_X_200 6
+c lp_c_Phase_X_200 6
+scale scale_PhaseX_200 0.00001
+.....
+out Output.txt append
+Out(Get(xdd_path_name, "\n%s\t")
+Out( lp_a_Phase_X_200 , "%11.5f\t", "%11.5f\t")
+Out( lp_b_Phase_X_200 , "%11.5f\t", "%11.5f\t")
+Out( lp_c_Phase_X_200 , "%11.5f\t", "%11.5f\t")
+.....
+xdd .....
+</code>
+Is a lot easier by using a macro:
+<code topas>
+xdd Scan_100.raw ' measured at 100 °C
+str
+phase_name "PhaseX"
+a lp_a_Phase_X_100 5
+b lp_b_Phase_X_100 5
+c lp_c_Phase_X_100 5
+scale scale_PhaseX_100 0.00001
+.....
+Out_with_suffix(100)
+xdd Scan_200.raw ' measured at 200 °C
+str
+phase_name "PhaseX"
+a lp_a_Phase_X_200 6
+b lp_b_Phase_X_200 6
+c lp_c_Phase_X_200 6
+scale scale_PhaseX_200 0.00001
+.....
+Out_with_suffix(200)
+xdd .....
+</code>
+<code topas>
+macro Out_with_suffix(suffix)
+   {
+	out Output.txt append
+	Out(Get(xdd_path_name, "\n%s\t")
+	Out( lp_a_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+	Out( lp_b_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+	Out( lp_c_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+        '..... add more .....
+   }
+</code>
+In case phases appear/disappear with changing conditions, adding a condition as e.g.
+<code topas>
+macro Out_with_suffix(suffix)
+   {
+        out Output.txt append
+        Out(Get(xdd_path_name, "\n%s\t")
+        if And( (Prm_There(scale_PhaseX_##suffix), scale_PhaseX_##suffix > 0)
+          {
+   	    Out( lp_a_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+	    Out( lp_b_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+	    Out( lp_c_Phase_X_##suffix , "%11.5f\t", "%11.5f\t")
+            '.....
+          }
+        else
+          {
+            Out_String("\t\t\t\t\t\t")
+          }
+        if And( (Prm_There(scale_PhaseY_##suffix), scale_PhaseY_##suffix > 0)
+          {
+   	    Out( lp_a_Phase_Y_##suffix , "%11.5f\t", "%11.5f\t")
+	    Out( lp_b_Phase_Y_##suffix , "%11.5f\t", "%11.5f\t")
+	    Out( lp_c_Phase_Y_##suffix , "%11.5f\t", "%11.5f\t")
+            '.....
+          }
+        else
+          {
+            Out_String("\t\t\t\t\t\t")
+          }
+    }
+</code>
+will only write the values to a file if the phase is actually there (or more precisely, if its scale factor is there and > 0). \\
+If the phase is not there, the empty values will be replaced by tabs in order to allow easy editing of Output.txt in e.g. Excel.