# | Line 119 | Line 119 | int main(int argc, char* argv[]){ | |
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119 | } else { | |
120 | Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat(); | |
121 | maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0; | |
122 | < | } |
123 | < | |
122 | > | } |
123 | ||
124 | RadialDistrFunc* rdf; | |
125 | if (args_info.gofr_given){ | |
126 | < | GofR* r = new GofR(info, dumpFileName, sele1, sele2); |
128 | < | |
129 | < | r->setNRBins(args_info.nrbins_arg); |
130 | < | r->setLength(maxLen); |
131 | < | |
132 | < | rdf = r; |
126 | > | rdf= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
127 | } else if (args_info.r_theta_given) { | |
128 | < | GofRTheta* rTheta = new GofRTheta(info, dumpFileName, sele1, sele2); |
129 | < | |
130 | < | rTheta->setNRBins(args_info.nrbins_arg); |
137 | < | rTheta->setLength(maxLen); |
138 | < | rTheta->setNAngleBins(args_info.nanglebins_arg); |
139 | < | |
140 | < | |
141 | < | rdf = rTheta; |
142 | < | } |
143 | < | else if (args_info.r_omega_given) { |
144 | < | GofROmega* rOmega = new GofROmega(info, dumpFileName, sele1, sele2); |
145 | < | |
146 | < | |
147 | < | rOmega->setNRBins(args_info.nrbins_arg); |
148 | < | rOmega->setLength(maxLen); |
149 | < | rOmega->setNAngleBins(args_info.nanglebins_arg); |
150 | < | |
151 | < | rdf = rOmega; |
128 | > | rdf = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
129 | > | } else if (args_info.r_omega_given) { |
130 | > | rdf = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
131 | } else if (args_info.theta_omega_given) { | |
132 | < | GofAngle2* rAngle2 = new GofAngle2(info, dumpFileName, sele1, sele2); |
154 | < | rAngle2->setNAngleBins(args_info.nanglebins_arg); |
155 | < | |
156 | < | rdf = rAngle2; |
132 | > | rdf = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg); |
133 | } else if (args_info.xyz_given) { | |
134 | < | |
159 | < | GofXyz* xyz = new GofXyz(info, dumpFileName, sele1, sele2); |
160 | < | |
161 | < | xyz->setNRBins(args_info.nrbins_arg); |
162 | < | xyz->setLength(maxLen); |
163 | < | |
164 | < | |
165 | < | rdf = xyz; |
134 | > | rdf= new GofXyz(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
135 | } | |
136 | ||
168 | – | |
137 | if (args_info.output_given) { | |
138 | rdf->setOutputName(args_info.output_arg); | |
139 | } | |
172 | – | |
140 | if (args_info.step_given) { | |
141 | rdf->setStep(args_info.step_arg); | |
142 | } |
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