1 |
#include "Rattle.hpp" |
2 |
#include <cmath> |
3 |
#include "SimInfo.hpp" |
4 |
|
5 |
//////////////////////////////////////////////////////////////////////////////// |
6 |
//Implementation of DCRattleBFunctor |
7 |
//////////////////////////////////////////////////////////////////////////////// |
8 |
int DCRattleBFunctor::operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2){ |
9 |
double posA[3], posB[3]; |
10 |
double velA[3], velB[3]; |
11 |
double vxab, vyab, vzab; |
12 |
double rab[3]; |
13 |
double rma, rmb; |
14 |
double dx, dy, dz; |
15 |
double rvab; |
16 |
double gab; |
17 |
|
18 |
consAtom1->getVel(velA); |
19 |
consAtom2->getVel(velB); |
20 |
|
21 |
vxab = velA[0] - velB[0]; |
22 |
vyab = velA[1] - velB[1]; |
23 |
vzab = velA[2] - velB[2]; |
24 |
|
25 |
consAtom1->getPos(posA); |
26 |
consAtom2->getPos(posB); |
27 |
|
28 |
rab[0] = posA[0] - posB[0]; |
29 |
rab[1] = posA[1] - posB[1]; |
30 |
rab[2] = posA[2] - posB[2]; |
31 |
|
32 |
info->wrapVector(rab); |
33 |
|
34 |
rma = 1.0 / consAtom1->getMass(); |
35 |
rmb = 1.0 / consAtom2->getMass(); |
36 |
|
37 |
rvab = rab[0] * vxab + rab[1] * vyab + rab[2] * vzab; |
38 |
|
39 |
gab = -rvab / ((rma + rmb) * curPair->getBondLength2()); |
40 |
|
41 |
if (fabs(gab) > consTolerance){ |
42 |
dx = rab[0] * gab; |
43 |
dy = rab[1] * gab; |
44 |
dz = rab[2] * gab; |
45 |
|
46 |
velA[0] += rma * dx; |
47 |
velA[1] += rma * dy; |
48 |
velA[2] += rma * dz; |
49 |
|
50 |
consAtom1->setVel(velA); |
51 |
|
52 |
velB[0] -= rmb * dx; |
53 |
velB[1] -= rmb * dy; |
54 |
velB[2] -= rmb * dz; |
55 |
|
56 |
consAtom2->setVel(velB); |
57 |
} |
58 |
return consSuccess; |
59 |
} |
60 |
|
61 |
|
62 |
|
63 |
int DCRattleBFunctor::operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB){ |
64 |
return consElemHandlerFail; |
65 |
} |
66 |
|
67 |
int DCRattleBFunctor::operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2){ |
68 |
return consElemHandlerFail; |
69 |
} |
70 |
|
71 |
//////////////////////////////////////////////////////////////////////////////// |
72 |
//Implementation of JCRattleBFunctor |
73 |
//////////////////////////////////////////////////////////////////////////////// |
74 |
int JCRattleBFunctor::operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2){ |
75 |
return consElemHandlerFail; |
76 |
} |
77 |
|
78 |
|
79 |
|
80 |
int JCRattleBFunctor::operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB){ |
81 |
return consElemHandlerFail; |
82 |
} |
83 |
|
84 |
int JCRattleBFunctor::operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2){ |
85 |
return consElemHandlerFail; |
86 |
} |