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#include "SphereHarm.hpp" |
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#include "cospmls.h" |
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#include "makeweights.h" |
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#include "FST_semi_memo.h" |
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SphereHarm::SphereHarm( int bandWidth ){ |
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bw = bandWidth; |
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weights ); |
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} |
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void SphereHarm::printShapesFileStart(char name[200], string particle, |
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void SphereHarm::printShapesFileStart(char name[200], char particle[80], |
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double mass, double momInert[3][3]){ |
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ofstream shapes(name); |
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ofstream myShapes(name); |
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printShapesStreamStart(myShapes, particle, mass, momInert); |
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} |
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void SphereHarm::printShapesStreamStart(ostream& shapes, char particle[80], |
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double mass, double momInert[3][3]){ |
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shapes << "begin ShapeInfo\n"; |
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shapes << "#name\t\tmass\tI_xx\tI_yy\tI_zz\n"; |
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shapes << particle << "\t" << mass << "\t" << momInert[0][0] << "\t" |
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<< momInert[1][1] << "\t" << momInert[2][2] << "\n\n"; |
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<< momInert[1][1] << "\t" << momInert[2][2] << "\n"; |
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shapes << "end ShapeInfo\n"; |
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} |
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void SphereHarm::printToShapesFile(char name[200], int index){ |
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void SphereHarm::printToShapesFile(char name[200], int index, double tolVal){ |
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ofstream shapes(name, ios::app); |
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printToShapesStream(shapes, index, tolVal); |
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} |
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void SphereHarm::printToShapesStream(ostream& shapes, int index, double tolVal) { |
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biggest = 0.0; |
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nfuncs = 0; |
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dummy2 = seanindex(-m, l, bw); |
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if (m == 0) { |
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cm = rcoeffs[dummy1]; |
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sm = icoeffs[dummy1]; |
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cm = normFactor(l,m)*rcoeffs[dummy1]; |
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sm = normFactor(l,m)*icoeffs[dummy1]; |
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} else { |
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cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
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sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
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cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
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+ rcoeffs[dummy2]); |
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sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
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- icoeffs[dummy2]); |
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} |
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if (fabs(cm) > biggest) biggest = fabs(cm); |
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dummy2 = seanindex(-m, l, bw); |
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if (m == 0) { |
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cm = rcoeffs[dummy1]; |
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sm = icoeffs[dummy1]; |
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cm = normFactor(l,m)*rcoeffs[dummy1]; |
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sm = normFactor(l,m)*icoeffs[dummy1]; |
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} else { |
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cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
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sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
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cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
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+ rcoeffs[dummy2]); |
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sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
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- icoeffs[dummy2]); |
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} |
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if (fabs(cm) > 0.01 * biggest) nfuncs++; |
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if (fabs(sm) > 0.01 * biggest) nfuncs++; |
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if (fabs(cm) > tolVal * biggest) nfuncs++; |
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if (fabs(sm) > tolVal * biggest) nfuncs++; |
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} |
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} |
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dummy2 = seanindex(-m, l, bw); |
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if (m == 0) { |
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cm = rcoeffs[dummy1]; |
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sm = icoeffs[dummy1]; |
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cm = normFactor(l,m)*rcoeffs[dummy1]; |
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sm = normFactor(l,m)*icoeffs[dummy1]; |
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} else { |
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cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
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sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
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cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
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+ rcoeffs[dummy2]); |
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sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
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- icoeffs[dummy2]); |
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} |
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if (fabs(cm) > 0.01 * biggest) |
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shapes << l << "\t" << m << "\tcos\t" << cm << "\n"; |
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if (fabs(sm) > 0.01 * biggest) |
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shapes << l << "\t" << m << "\tsin\t" << sm << "\n"; |
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if (fabs(cm) > tolVal * biggest) |
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shapes << l << "\t" << m << "\tcos\t\t" << cm << "\n"; |
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if (fabs(sm) > tolVal * biggest) |
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shapes << l << "\t" << m << "\tsin\t\t" << sm << "\n"; |
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} |
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} |
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switch(index){ |
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case 0:{ |
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shapes << "\nend ContactFunctions\n"; |
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shapes << "end ContactFunctions\n"; |
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}; break; |
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case 1:{ |
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shapes << "\nend RangeFunctions\n"; |
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shapes << "end RangeFunctions\n"; |
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}; break; |
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case 2:{ |
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shapes << "\nend StrengthFunctions\n"; |
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shapes << "end StrengthFunctions\n"; |
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}; break; |
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} |
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} |
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double SphereHarm::normFactor(int L, int M){ |
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// normalization factor: |
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if (L+M > 170){ |
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printf("Warning: A coefficient was omitted because l + m > 170.\n" |
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"\tThe double buffer overflows with factorial calculations\n" |
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"\tof 170 and higher. You should consider using a smaller\n" |
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"\tbandwidth if you aren't okay with the loss of the %i, %i\n" |
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"\tspherical harmonic.\n", L, M); |
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return 0.0; |
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} |
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else |
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return sqrt( (2*L+1)/(4.0*M_PI)*factorialFunc((double)(L-M)) |
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/ factorialFunc(double(L+M)) ); |
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} |
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double SphereHarm::factorialFunc(double n) { |
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if (n < 0.0) return NAN; |
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else { |
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if (n < 2.0) return 1.0; |
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else |
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return n*factorialFunc(n-1.0); |
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} |
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} |
