Changes in src/Actions/FragmentationAction/FragmentationAction.def [7811bf:07a47e]

File:

• src/Actions/FragmentationAction/FragmentationAction.def (modified) (1 diff)

src/Actions/FragmentationAction/FragmentationAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
-
+#include <string>
+#include <vector>
 
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
-#define paramtypes (std::string)(double)(int)
-#define paramtokens ("fragment-molecule")("distance")("order")
-#define paramdescriptions ("path to where the fragment configurations shall be stored")("distance in space")("order of a discretization, dissection, ...")
-#undef paramdefaults
-#define paramreferences (path)(distance)(order)
+#define paramtypes (std::string)(double)(int)(bool)(std::vector<std::string>)
+#define paramtokens ("fragment-molecule")("distance")("order")("DoSaturate")("output-types")
+#define paramdescriptions ("prefix of each fragment file")("distance in space")("order of a discretization, dissection, ...")("do saturate dangling bonds with hydrogen")("type(s) of parsers that output fragment config files")
+#define paramdefaults (NODEFAULT)(NODEFAULT)(NODEFAULT)("1")("pcp tremolo xyz")
+#define paramreferences (prefix)(distance)(order)(DoSaturation)(types)
 
 #undef statetypes