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

34 #ifndef CN3D_VECTORMATH__HPP 35 #define CN3D_VECTORMATH__HPP 49  Vector

(

double

xi = 0.0,

double

yi = 0.0,

double

zi = 0.0)

55  x

=v.

x

;

y

=v.

y

;

z

=v.

z

;

59  x

=v.

x

;

y

=v.

y

;

z

=v.

z

;

62  void Set

(

double

xs,

double

ys,

double

zs)

68  return

(

x

== other.

x

&&

y

== other.

y

&&

z

== other.

z

);

72  return

!(*

this

== other);

76  static double

err = 0.0;

77  if

(

i

== 0)

return x

;

78  else if

(

i

== 1)

return y

;

79  else if

(

i

== 2)

return z

;

85  if

(

i

== 0)

return x

;

86  else if

(

i

== 1)

return y

;

87  else if

(

i

== 2)

return z

;

101  x

+=v.

x

;

y

+=v.

y

;

z

+=v.

z

;

110  x

-=v.

x

;

y

-=v.

y

;

z

-=v.

z

;

123  x

*=

f

;

y

*=

f

;

z

*=

f

;

132  x

/=

f

;

y

/=

f

;

z

/=

f

;

137  return

sqrt(

x

*

x

+

y

*

y

+

z

*

z

);

141  return

(

x

*

x

+

y

*

y

+

z

*

z

);

149  return

(

a

.x*

b

.x +

a

.y*

b

.y +

a

.z*

b

.z);

154  a

.y*

b

.z -

a

.z*

b

.y,

155  a

.z*

b

.x -

a

.x*

b

.z,

156  a

.x*

b

.y -

a

.y*

b

.x

163  return

s <<

'<'

<< v.

x

<<

','

<< v.

y

<<

','

<< v.

z

<<

'>'

;

169  Matrix

(

double

m0 =1,

double

m1 =0,

double

m2 =0,

double

m3 =0,

170  double

m4 =0,

double

m5 =1,

double

m6 =0,

double

m7 =0,

171  double

m8 =0,

double

m9 =0,

double

m10 =1,

double

m11 =0,

172  double

m12 =0,

double

m13 =0,

double

m14 =0,

double

m15 =1) {

173  m

[0]=m0;

m

[1]=m1;

m

[2]=m2;

m

[3]=m3;

174  m

[4]=m4;

m

[5]=m5;

m

[6]=m6;

m

[7]=m7;

175  m

[8]=m8;

m

[9]=m9;

m

[10]=m10;

m

[11]=m11;

176  m

[12]=m12;

m

[13]=m13;

m

[14]=m14;

m

[15]=m15;

179  for

(

int i

=0;

i

<16; ++

i

)

m

[

i

]=o.

m

[

i

];

182  m

[0] =

m

[5] =

m

[10] =

m

[15] = 1;

183  m

[1] =

m

[2] =

m

[3] =

m

[4] =

m

[6] =

m

[7] =

184  m

[8] =

m

[9] =

m

[11] =

m

[12] =

m

[13] =

m

[14] = 0;

187  for

(

int i

=0;

i

<16; ++

i

)

m

[

i

]=o.

m

[

i

];

192  static double

err = 0.0;

218  int

natx,

const Vector

*

const

*xref,

const Vector

*

const

*xvar,

const double

*weights,

223  const Vector

*

const

*dependentCoords,

const Matrix

*transformDependentToMaster);

virtual T * operator[](size_t i_)

Matrix(double m0=1, double m1=0, double m2=0, double m3=0, double m4=0, double m5=1, double m6=0, double m7=0, double m8=0, double m9=0, double m10=1, double m11=0, double m12=0, double m13=0, double m14=0, double m15=1)

Matrix & operator=(const Matrix &matrix_)

Vector & operator+=(const Vector &v)

double lengthSquared(void) const

friend Vector operator+(const Vector &a, const Vector &b)

bool operator==(const Vector &other)

bool operator!=(const Vector &other)

Vector & operator/=(double f)

Vector & operator*=(double f)

double length(void) const

virtual T & operator[](size_t i_)

friend Vector operator-(const Vector &a)

friend double vector_dot(const Vector &a, const Vector &b)

friend Vector vector_cross(const Vector &a, const Vector &b)

Vector & operator=(const Vector &vector_)

Vector(double xi=0.0, double yi=0.0, double zi=0.0)

friend Vector operator/(const Vector &v, double f)

void Set(double xs, double ys, double zs)

friend Vector operator*(const Vector &v, double f)

Vector & operator-=(const Vector &v)

#define ERR_POST(message)

Error posting with file, line number information but without error codes.

void Error(CExceptionArgs_Base &args)

#define END_SCOPE(ns)

End the previously defined scope.

#define BEGIN_SCOPE(ns)

Define a new scope.

IO_PREFIX::ostream CNcbiOstream

Portable alias for ostream.

Defines NCBI C++ diagnostic APIs, classes, and macros.

The NCBI C++/STL use hints.

NCBI C++ stream class wrappers for triggering between "new" and "old" C++ stream libraries.

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

void SetTranslationMatrix(Matrix *m, const Vector &v, int n=1)

ncbi::CNcbiOstream & operator<<(ncbi::CNcbiOstream &s, const Vector &v)

void SetRotationMatrix(Matrix *m, const Vector &v, double rad, int n=1)

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

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

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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