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NCBI C++ ToolKit: src/app/cn3d/vector_math.cpp Source File

m->m[0]=1; m->m[1]=0; m->m[2]=0; m->m[3]=

*v.x;

m->m[4]=0; m->m[5]=1; m->m[6]=0; m->m[7]=

*v.y;

m->m[8]=0; m->m[9]=0; m->m[10]=1; m->m[11]=

*v.z;

m->m[12]=0; m->m[13]=0; m->m[14]=0; m->m[15]=1;

m->

[0]=v.

; m->

[1]=0; m->

[2]=0; m->

[3]=0;

m->

[4]=0; m->

[5]=v.

; m->

[6]=0; m->

[7]=0;

m->

[8]=0; m->

[9]=0; m->

[10]=v.

; m->

[11]=0;

m->

[12]=0; m->

[13]=0; m->

[14]=0; m->

[15]=1;

m->

[0]=u.

*u.

*

+c;

m->

[1]=u.

*u.

*

-u.

*s;

m->

[2]=u.

*u.

*

+u.

*s;

m->

[4]=u.

*u.

*

+u.

*s;

m->

[5]=u.

*u.

*

+c;

m->

[6]=u.

*u.

*

-u.

*s;

m->

[8]=u.

*u.

*

-u.

*s;

m->

[9]=u.

*u.

*

+u.

*s;

m->

[10]=u.

*u.

*

+c;

m->

[12]=m->

[13]=m->

[14]=0; m->

[15]=1;

.x=m.

[0]*v->

+ m.

[1]*v->

+ m.

[2]*v->

+ m.

[3];

.y=m.

[4]*v->

+ m.

[5]*v->

+ m.

[6]*v->

+ m.

[7];

.z=m.

[8]*v->

+ m.

[9]*v->

+ m.

[10]*v->

+ m.

[11];

(

=0;

<4; ++

) {

(

j=0; j<4; ++j) {

(

s=0; s<4; ++s) {

->m[4*

+j] += (

.m[4*

+s])*(

.m[4*s+j]);

=

.m[0],

=

.m[1], c=

.m[2], d=

.m[3],

e=

.m[4],

=

.m[5],

=

.m[6], h=

.m[7],

=

.m[8], j=

.m[9], k=

.m[10],

=

.m[11];

denom=(-(c*

*

) +

*

*

+ c*e*j -

*

*j -

*e*k +

*

*k);

I->

[0]= (-(

*j) +

*k)/denom;

I->

[1]= (c*j -

*k)/denom;

I->

[2]= (-(c*

) +

*

)/denom;

I->

[3]= (d*

*j - c*h*j - d*

*k +

*h*k + c*

*

-

*

*

)/denom;

I->

[4]= (

*

- e*k)/denom;

I->

[5]= (-(c*

) +

*k)/denom;

I->

[6]= (c*e -

*

)/denom;

I->

[7]= (-(d*

*

) + c*h*

+ d*e*k -

*h*k - c*e*

+

*

*

)/denom;

I->

[8]= (-(

*

) + e*j)/denom;

I->

[9]= (

*

-

*j)/denom;

I->

[10]= (-(

*e) +

*

)/denom;

I->

[11]= (d*

*

-

*h*

- d*e*j +

*h*j +

*e*

-

*

*

)/denom;

I->

[12]=0; I->

[13]=0; I->

[14]=0; I->

[15]=1;

natx,

*

*xref,

*

*xvar,

*weights,

rot[3][3], corlnmatrx[3][3];

flag1, flag2, flag3;

an2, xx,

, fz=0.0, sgn, del, phix, phibes;

(iatv=0; iatv<natx; ++iatv) {

(weights[iatv] <= 0.)

;

an2 += weights[iatv];

cgref += *(xref[iatv]) * weights[iatv];

cgvar += *(xvar[iatv]) * weights[iatv];

(

=0;

<3; ++

) {

(j=0; j<3; ++j) {

corlnmatrx[

][j] = 0.;

(iatv=0; iatv<natx; ++iatv) {

(

=0;

<3; ++

) {

(weights[iatv] <= 0.)

;

xx = ((*(xvar[iatv]))[

] - cgvar[

]) * weights[iatv];

(j=0; j<3; ++j) {

corlnmatrx[

][j] += xx * ((*(xref[iatv]))[j] - cgref[j]);

flag1 = flag2 = flag3 =

;

cosin[ix] = cos(phix);

sine[ix] = sin(phix);

rot[0][0] = cosin[1] * cosin[2];

rot[1][0] = cosin[1] * sine[2];

rot[0][1] = sine[0] * sine[1] * cosin[2] - cosin[0] * sine[2];

rot[1][1] = sine[0] * sine[1] * sine[2] + cosin[0] * cosin[2];

rot[2][0] = -sine[1];

rot[2][1] = sine[0] * cosin[1];

rot[2][2] = cosin[0] * cosin[1];

rot[0][2] = cosin[0] * sine[1] * cosin[2] + sine[0] * sine[2];

rot[1][2] = cosin[0] * sine[1] * sine[2] - sine[0] * cosin[2];

(

=0;

<3; ++

) {

(j=0; j<3; ++j) {

+= rot[

][j] * corlnmatrx[

][j];

phix = phibes + sgn * del;

phix = phibes + sgn * del;

phix = phibes + sgn * del;

cosin[ix] = cos(phibes);

sine[ix] = sin(phibes);

phi[ix] = phix = phibes + sgn * del;

(del < tol)

;

phix = phibes + sgn * del;

(

=0;

<3; ++

) {

(j=0; j<3; ++j) {

rotMat[4*

+ j] = rot[j][

];

*

*dependentCoords,

*transformDependentToMaster)

(

c=0; c<nCoords; ++c) {

(!dependentCoords[c] || !masterCoords[c])

;

x = *(dependentCoords[c]);

(transformDependentToMaster)

rmsd += (*(masterCoords[c]) - x).lengthSquared();

(

);

rmsd = sqrt(rmsd /

);

Include a standard set of the NCBI C++ Toolkit most basic headers.

#define END_SCOPE(ns)

End the previously defined scope.

#define BEGIN_SCOPE(ns)

Define a new scope.

static SLJIT_INLINE sljit_ins l(sljit_gpr r, sljit_s32 d, sljit_gpr x, sljit_gpr b)

int g(Seg_Gsm *spe, Seq_Mtf *psm, Thd_Gsm *tdg)

void InvertInto(Matrix *I, const Matrix &A)

double ComputeRMSD(int nCoords, const Vector *const *masterCoords, const Vector *const *dependentCoords, const Matrix *transformDependentToMaster)

void SetRotationMatrix(Matrix *m, const Vector &v, double rad, int n)

void ComposeInto(Matrix *C, const Matrix &A, const Matrix &B)

void SetTranslationMatrix(Matrix *m, const Vector &v, int n)

void ApplyTransformation(Vector *v, const Matrix &m)

void SetScaleMatrix(Matrix *m, const Vector &v)

void RigidBodyFit(int natx, const Vector *const *xref, const Vector *const *xvar, const double *weights, Vector &cgref, Vector &cgvar, Matrix &rotMat)

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