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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1376 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-01-17 17:11:02 +00:00
parent 7a1d7a7f87
commit 83ec8fbde0
3 changed files with 36 additions and 53 deletions
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37
tools/pymol_asphere/src/cartesian.h
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@ -204,8 +204,23 @@ class ThreeD {
friend ThreeD<numtyp> operator* <>(const numtyp, const ThreeD<numtyp> &two);
friend ThreeD<numtyp> operator/ <>(const numtyp, const ThreeD<numtyp> &two);
numtyp &operator[](unsigned i);
numtyp operator[](unsigned i) const;
inline numtyp &operator[](unsigned i) {
switch(i) {
case X: return x;
case Y: return y;
case Z: return z;
}
return x;
}
inline numtyp operator[](unsigned i) const {
switch(i) {
case X: return x;
case Y: return y;
case Z: return z;
}
return x;
}
bool operator == (const ThreeD<numtyp> &two) const;
bool operator != (const ThreeD<numtyp> &two) const;
@ -222,7 +237,10 @@ class ThreeD {
void operator += (const ThreeD &two);
void operator -= (const numtyp &two);
void operator -= (const ThreeD &two);
void operator *= (const numtyp &two);
inline void operator *= (const numtyp &two) {
x*=two; y*=two; z*=two;
}
void operator /= (const numtyp &two);
/// Move coordinates into array
@ -253,11 +271,20 @@ class ThreeD {
/// Magnitude of vector
numtyp hypot() const;
/// Distance between two points
numtyp dist(const ThreeD<numtyp> &two);
inline numtyp dist(const ThreeD<numtyp> &two) {
return (*this-two).norm();
}
/// Distance squared between two points
numtyp dist2(const ThreeD<numtyp> &two);
/// Converts \b *this to the unit vector
void normalize();
inline void normalize() {
numtyp temp=norm();
#ifdef NANCHECK
assert(temp!=0);
#endif
*this/=temp;
}
/// Return the unit vector of \b *this
ThreeD<numtyp> unit();