"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer0/Vector.cpp" between
pymol-v1.8.6.0.tar.bz2 and pymol-v2.1.0.tar.bz2

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

Vector.cpp  (pymol-v1.8.6.0.tar.bz2)	:	Vector.cpp  (pymol-v2.1.0.tar.bz2)
skipping to change at line 388		skipping to change at line 388
for (int j = 0; j < ncol; j++) {		for (int j = 0; j < ncol; j++) {
int a1 = i * ncol1 + j, a2 = i * ncol2 + j;		int a1 = i * ncol1 + j, a2 = i * ncol2 + j;
if (fabsf(m1[a1] - m2[a2]) > threshold)		if (fabsf(m1[a1] - m2[a2]) > threshold)
return false;		return false;
}		}
}		}
return true;		return true;
}		}
/*		/*
		* Check a nxm matrix is a diagonal matrix (non-diagonal elements are zero)
		*/
		bool is_diagonalf(int nrow,
		const float *m, int ncol, float threshold)
		{
		if (!ncol)
		ncol = nrow;
		for (int i = 0; i < nrow; ++i) {
		for (int j = 0; j < ncol; ++j) {
		if (i != j && fabsf(m[i * ncol + j]) > threshold)
		return false;
		}
		}
		return true;
		}
		/*
* Determinant of the upper left 3x3 submatrix.		* Determinant of the upper left 3x3 submatrix.
*/		*/
double determinant33f(const float *m, int ncol)		double determinant33f(const float *m, int ncol)
{		{
int &a = ncol, b = ncol * 2;		int &a = ncol, b = ncol * 2;
return		return
m[0] * (m[a + 1] * (double) m[b + 2] - m[a + 2] * (double) m[b + 1]) -		m[0] * (m[a + 1] * (double) m[b + 2] - m[a + 2] * (double) m[b + 1]) -
m[1] * (m[a + 0] * (double) m[b + 2] - m[a + 2] * (double) m[b + 0]) +		m[1] * (m[a + 0] * (double) m[b + 2] - m[a + 2] * (double) m[b + 0]) +
m[2] * (m[a + 0] * (double) m[b + 1] - m[a + 1] * (double) m[b + 0]);		m[2] * (m[a + 0] * (double) m[b + 1] - m[a + 1] * (double) m[b + 0]);
}		}
skipping to change at line 1610		skipping to change at line 1627
}		}
}		}
return (result);		return (result);
}		}
float get_angle3f(const float *v1, const float *v2)		float get_angle3f(const float *v1, const float *v2)
{		{
double denom;		double denom;
double result;		double result;
double arg1, arg2;		double arg1, arg2;
arg1 = ((v1[0] * v1[0]) + (v1[1] * v1[1]) + (v1[2] * v1[2]));		arg1 = ((v1[0] * (double)v1[0]) + (v1[1] * (double)v1[1]) + (v1[2] * (double)v
arg2 = ((v2[0] * v2[0]) + (v2[1] * v2[1]) + (v2[2] * v2[2]));		1[2]));
		arg2 = ((v2[0] * (double)v2[0]) + (v2[1] * (double)v2[1]) + (v2[2] * (double)v
		2[2]));
denom = sqrt1d(arg1) * sqrt1d(arg2);		denom = sqrt1d(arg1) * sqrt1d(arg2);
if(denom > R_SMALL){		if(denom > R_SMALL){
arg1 = (v1[0] * v2[0] + v1[1] * v2[1] + v1[2] * v2[2]);		arg1 = (v1[0] * (double)v2[0] + v1[1] * (double)v2[1] + v1[2] * (double)v2[2 ]);
result = arg1 / denom;		result = arg1 / denom;
} else		} else
result = _0;		result = _0;
if(result < -_1)		if(result < -_1)
result = -_1;		result = -_1;
else if(result > _1)		else if(result > _1)
result = _1;		result = _1;
result = acos(result);
return ((float) result);		return acosf(result);
}		}
void normalize23f(const float *v1, float *v2)		void normalize23f(const float *v1, float *v2)
{		{
double vlen;		double vlen;
vlen = length3f(v1);		vlen = length3f(v1);
if(vlen > R_SMALL) {		if(vlen > R_SMALL) {
v2[0] = (float) (v1[0] / vlen);		v2[0] = (float) (v1[0] / vlen);
v2[1] = (float) (v1[1] / vlen);		v2[1] = (float) (v1[1] / vlen);
v2[2] = (float) (v1[2] / vlen);		v2[2] = (float) (v1[2] / vlen);
End of changes. 4 change blocks.
5 lines changed or deleted		24 lines changed or added

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