# | Line 56 | Line 56 | |
---|---|---|
56 | #include "applications/staticProps/GofAngle2.hpp" | |
57 | #include "applications/staticProps/GofXyz.hpp" | |
58 | #include "applications/staticProps/P2OrderParameter.hpp" | |
59 | + | #include "applications/staticProps/RippleOP.hpp" |
60 | #include "applications/staticProps/SCDOrderParameter.hpp" | |
61 | #include "applications/staticProps/DensityPlot.hpp" | |
62 | #include "applications/staticProps/RhoZ.hpp" | |
# | Line 81 | Line 82 | int main(int argc, char* argv[]){ | |
82 | //get the dumpfile name and meta-data file name | |
83 | std::string dumpFileName = args_info.input_arg; | |
84 | ||
84 | – | std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md"; |
85 | – | |
85 | ||
86 | std::string sele1; | |
87 | std::string sele2; | |
# | Line 146 | Line 145 | int main(int argc, char* argv[]){ | |
145 | ||
146 | //parse md file and set up the system | |
147 | SimCreator creator; | |
148 | < | SimInfo* info = creator.createSim(mdFileName); |
148 | > | SimInfo* info = creator.createSim(dumpFileName); |
149 | ||
150 | < | double maxLen; |
150 | > | RealType maxLen; |
151 | if (args_info.length_given) { | |
152 | maxLen = args_info.length_arg; | |
153 | } else { | |
# | Line 177 | Line 176 | int main(int argc, char* argv[]){ | |
176 | } | |
177 | } else if (args_info.p2_given) { | |
178 | analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); | |
179 | < | } else if (args_info.scd_given) { |
179 | > | } else if (args_info.rp2_given){ |
180 | > | analyser = new RippleOP(info, dumpFileName, sele1, sele2); |
181 | > | }else if (args_info.scd_given) { |
182 | if (batchMode) { | |
183 | analyser = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg, | |
184 | args_info.begin_arg, args_info.end_arg); |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |