| 109 |
|
weights ); |
| 110 |
|
} |
| 111 |
|
|
| 112 |
< |
void SphereHarm::printShapesFileStart(char name[200], string particle, |
| 112 |
> |
void SphereHarm::printShapesFileStart(char name[200], char particle[80], |
| 113 |
|
double mass, double momInert[3][3]){ |
| 114 |
|
ofstream shapes(name); |
| 115 |
+ |
shapes << "begin ShapeInfo\n"; |
| 116 |
+ |
shapes << "#name\t\tmass\tI_xx\tI_yy\tI_zz\n"; |
| 117 |
|
shapes << particle << "\t" << mass << "\t" << momInert[0][0] << "\t" |
| 118 |
< |
<< momInert[1][1] << "\t" << momInert[2][2] << "\n\n"; |
| 118 |
> |
<< momInert[1][1] << "\t" << momInert[2][2] << "\n"; |
| 119 |
> |
shapes << "end ShapeInfo\n"; |
| 120 |
|
} |
| 121 |
|
|
| 122 |
|
void SphereHarm::printToShapesFile(char name[200], int index){ |
| 130 |
|
dummy2 = seanindex(-m, l, bw); |
| 131 |
|
|
| 132 |
|
if (m == 0) { |
| 133 |
< |
cm = rcoeffs[dummy1]; |
| 134 |
< |
sm = icoeffs[dummy1]; |
| 133 |
> |
cm = normFactor(l,m)*rcoeffs[dummy1]; |
| 134 |
> |
sm = normFactor(l,m)*icoeffs[dummy1]; |
| 135 |
|
} else { |
| 136 |
< |
cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
| 137 |
< |
sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
| 136 |
> |
cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
| 137 |
> |
+ rcoeffs[dummy2]); |
| 138 |
> |
sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
| 139 |
> |
- icoeffs[dummy2]); |
| 140 |
|
} |
| 141 |
|
|
| 142 |
|
if (fabs(cm) > biggest) biggest = fabs(cm); |
| 149 |
|
dummy2 = seanindex(-m, l, bw); |
| 150 |
|
|
| 151 |
|
if (m == 0) { |
| 152 |
< |
cm = rcoeffs[dummy1]; |
| 153 |
< |
sm = icoeffs[dummy1]; |
| 152 |
> |
cm = normFactor(l,m)*rcoeffs[dummy1]; |
| 153 |
> |
sm = normFactor(l,m)*icoeffs[dummy1]; |
| 154 |
|
} else { |
| 155 |
< |
cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
| 156 |
< |
sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
| 155 |
> |
cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
| 156 |
> |
+ rcoeffs[dummy2]); |
| 157 |
> |
sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
| 158 |
> |
- icoeffs[dummy2]); |
| 159 |
|
} |
| 160 |
|
|
| 161 |
|
if (fabs(cm) > 0.01 * biggest) nfuncs++; |
| 184 |
|
dummy2 = seanindex(-m, l, bw); |
| 185 |
|
|
| 186 |
|
if (m == 0) { |
| 187 |
< |
cm = rcoeffs[dummy1]; |
| 188 |
< |
sm = icoeffs[dummy1]; |
| 187 |
> |
cm = normFactor(l,m)*rcoeffs[dummy1]; |
| 188 |
> |
sm = normFactor(l,m)*icoeffs[dummy1]; |
| 189 |
|
} else { |
| 190 |
< |
cm = pow(-1.0,(double)m)*rcoeffs[dummy1] + rcoeffs[dummy2]; |
| 191 |
< |
sm = pow(-1.0,(double)m)*icoeffs[dummy1] - icoeffs[dummy2]; |
| 190 |
> |
cm = normFactor(l,m)*(pow(-1.0,(double)m)*rcoeffs[dummy1] |
| 191 |
> |
+ rcoeffs[dummy2]); |
| 192 |
> |
sm = normFactor(l,m)*(pow(-1.0,(double)m)*icoeffs[dummy1] |
| 193 |
> |
- icoeffs[dummy2]); |
| 194 |
|
} |
| 195 |
|
|
| 196 |
|
if (fabs(cm) > 0.01 * biggest) |
| 197 |
< |
shapes << l << "\t" << m << "\tcos\t" << cm << "\n"; |
| 197 |
> |
shapes << l << "\t" << m << "\tcos\t\t" << cm << "\n"; |
| 198 |
|
if (fabs(sm) > 0.01 * biggest) |
| 199 |
< |
shapes << l << "\t" << m << "\tsin\t" << sm << "\n"; |
| 199 |
> |
shapes << l << "\t" << m << "\tsin\t\t" << sm << "\n"; |
| 200 |
|
} |
| 201 |
|
} |
| 202 |
|
switch(index){ |
| 203 |
|
case 0:{ |
| 204 |
< |
shapes << "\nend ContactFunctions\n"; |
| 204 |
> |
shapes << "end ContactFunctions\n"; |
| 205 |
|
}; break; |
| 206 |
|
case 1:{ |
| 207 |
< |
shapes << "\nend RangeFunctions\n"; |
| 207 |
> |
shapes << "end RangeFunctions\n"; |
| 208 |
|
}; break; |
| 209 |
|
case 2:{ |
| 210 |
< |
shapes << "\nend StrengthFunctions\n"; |
| 210 |
> |
shapes << "end StrengthFunctions\n"; |
| 211 |
|
}; break; |
| 212 |
|
} |
| 213 |
|
} |
| 214 |
|
|
| 215 |
+ |
double SphereHarm::normFactor(int L, int M){ |
| 216 |
+ |
// normalization factor: |
| 217 |
+ |
if (L+M > 170){ |
| 218 |
+ |
printf("Warning: A coefficient was omitted because l + m > 170.\n" |
| 219 |
+ |
"\tThe double buffer overflows with factorial calculations\n" |
| 220 |
+ |
"\tof 170 and higher. You should consider using a smaller\n" |
| 221 |
+ |
"\tbandwidth if you aren't okay with the loss of the %i, %i\n" |
| 222 |
+ |
"\tspherical harmonic.\n", L, M); |
| 223 |
+ |
return 0.0; |
| 224 |
+ |
} |
| 225 |
+ |
else |
| 226 |
+ |
return sqrt( (2*L+1)/(4.0*M_PI)*factorialFunc((double)(L-M)) |
| 227 |
+ |
/ factorialFunc(double(L+M)) ); |
| 228 |
+ |
} |
| 229 |
+ |
|
| 230 |
+ |
double SphereHarm::factorialFunc(double n) { |
| 231 |
+ |
if (n < 0.0) return NAN; |
| 232 |
+ |
else { |
| 233 |
+ |
if (n < 2.0) return 1.0; |
| 234 |
+ |
else |
| 235 |
+ |
return n*factorialFunc(n-1.0); |
| 236 |
+ |
} |
| 237 |
+ |
} |
