"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer0/Matrix.cpp" between
pymol-v2.1.0.tar.bz2 and pymol-open-source-2.2.0.tar.gz

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.

Matrix.cpp  (pymol-v2.1.0.tar.bz2)	:	Matrix.cpp  (pymol-open-source-2.2.0)
skipping to change at line 469		skipping to change at line 469
if(out_max[a] < out_tst[a])		if(out_max[a] < out_tst[a])
out_max[a] = out_tst[a];		out_max[a] = out_tst[a];
}		}
}		}
}		}
copy3d3f(out_min, new_min);		copy3d3f(out_min, new_min);
copy3d3f(out_max, new_max);		copy3d3f(out_max, new_max);
return 1;		return 1;
}		}
		int MatrixInvertC44f(const float *m, float *out)
		{
		/* This routine included in PyMOL under the terms of the
		* MIT consortium license for Brian Paul's Mesa, from which it was derived. */
		/* MESA comments:
		* Compute inverse of 4x4 transformation matrix.
		* Code contributed by Jacques Leroy jle@star.be
		* Return GL_TRUE for success, GL_FALSE for failure (singular matrix)
		*/
		/* NB. OpenGL Matrices are COLUMN major. */
		#define SWAP_ROWS(a, b) { float *_tmp = a; (a)=(b); (b)=_tmp; }
		#define MAT(m,r,c) (m)[(c)*4+(r)]
		float wtmp[4][8];
		float m0, m1, m2, m3, s;
		float *r0, *r1, *r2, *r3;
		r0 = wtmp[0], r1 = wtmp[1], r2 = wtmp[2], r3 = wtmp[3];
		r0[0] = MAT(m, 0, 0), r0[1] = MAT(m, 0, 1),
		r0[2] = MAT(m, 0, 2), r0[3] = MAT(m, 0, 3),
		r0[4] = 1.0, r0[5] = r0[6] = r0[7] = 0.0F,
		r1[0] = MAT(m, 1, 0), r1[1] = MAT(m, 1, 1),
		r1[2] = MAT(m, 1, 2), r1[3] = MAT(m, 1, 3),
		r1[5] = 1.0, r1[4] = r1[6] = r1[7] = 0.0F,
		r2[0] = MAT(m, 2, 0), r2[1] = MAT(m, 2, 1),
		r2[2] = MAT(m, 2, 2), r2[3] = MAT(m, 2, 3),
		r2[6] = 1.0, r2[4] = r2[5] = r2[7] = 0.0F,
		r3[0] = MAT(m, 3, 0), r3[1] = MAT(m, 3, 1),
		r3[2] = MAT(m, 3, 2), r3[3] = MAT(m, 3, 3), r3[7] = 1.0, r3[4] = r3[5] = r3[
		6] = 0.0F;
		/* choose pivot - or die */
		if(fabs(r3[0]) > fabs(r2[0]))
		SWAP_ROWS(r3, r2);
		if(fabs(r2[0]) > fabs(r1[0]))
		SWAP_ROWS(r2, r1);
		if(fabs(r1[0]) > fabs(r0[0]))
		SWAP_ROWS(r1, r0);
		if(0.0F == r0[0])
		return 0;
		/* eliminate first variable */
		m1 = r1[0] / r0[0];
		m2 = r2[0] / r0[0];
		m3 = r3[0] / r0[0];
		s = r0[1];
		r1[1] -= m1 * s;
		r2[1] -= m2 * s;
		r3[1] -= m3 * s;
		s = r0[2];
		r1[2] -= m1 * s;
		r2[2] -= m2 * s;
		r3[2] -= m3 * s;
		s = r0[3];
		r1[3] -= m1 * s;
		r2[3] -= m2 * s;
		r3[3] -= m3 * s;
		s = r0[4];
		if(s != 0.0F) {
		r1[4] -= m1 * s;
		r2[4] -= m2 * s;
		r3[4] -= m3 * s;
		}
		s = r0[5];
		if(s != 0.0F) {
		r1[5] -= m1 * s;
		r2[5] -= m2 * s;
		r3[5] -= m3 * s;
		}
		s = r0[6];
		if(s != 0.0F) {
		r1[6] -= m1 * s;
		r2[6] -= m2 * s;
		r3[6] -= m3 * s;
		}
		s = r0[7];
		if(s != 0.0F) {
		r1[7] -= m1 * s;
		r2[7] -= m2 * s;
		r3[7] -= m3 * s;
		}
		/* choose pivot - or die */
		if(fabs(r3[1]) > fabs(r2[1]))
		SWAP_ROWS(r3, r2);
		if(fabs(r2[1]) > fabs(r1[1]))
		SWAP_ROWS(r2, r1);
		if(0.0F == r1[1])
		return 0;
		/* eliminate second variable */
		m2 = r2[1] / r1[1];
		m3 = r3[1] / r1[1];
		r2[2] -= m2 * r1[2];
		r3[2] -= m3 * r1[2];
		r2[3] -= m2 * r1[3];
		r3[3] -= m3 * r1[3];
		s = r1[4];
		if(0.0F != s) {
		r2[4] -= m2 * s;
		r3[4] -= m3 * s;
		}
		s = r1[5];
		if(0.0F != s) {
		r2[5] -= m2 * s;
		r3[5] -= m3 * s;
		}
		s = r1[6];
		if(0.0F != s) {
		r2[6] -= m2 * s;
		r3[6] -= m3 * s;
		}
		s = r1[7];
		if(0.0F != s) {
		r2[7] -= m2 * s;
		r3[7] -= m3 * s;
		}
		/* choose pivot - or die */
		if(fabs(r3[2]) > fabs(r2[2]))
		SWAP_ROWS(r3, r2);
		if(0.0F == r2[2])
		return 0;
		/* eliminate third variable */
		m3 = r3[2] / r2[2];
		r3[3] -= m3 * r2[3], r3[4] -= m3 * r2[4],
		r3[5] -= m3 * r2[5], r3[6] -= m3 * r2[6], r3[7] -= m3 * r2[7];
		/* last check */
		if(0.0F == r3[3])
		return 0;
		s = 1.0F / r3[3]; /* now back substitute row 3 */
		r3[4] *= s;
		r3[5] *= s;
		r3[6] *= s;
		r3[7] *= s;
		m2 = r2[3]; /* now back substitute row 2 */
		s = 1.0F / r2[2];
		r2[4] = s * (r2[4] - r3[4] * m2), r2[5] = s * (r2[5] - r3[5] * m2),
		r2[6] = s * (r2[6] - r3[6] * m2), r2[7] = s * (r2[7] - r3[7] * m2);
		m1 = r1[3];
		r1[4] -= r3[4] * m1, r1[5] -= r3[5] * m1, r1[6] -= r3[6] * m1, r1[7] -= r3[7]
		* m1;
		m0 = r0[3];
		r0[4] -= r3[4] * m0, r0[5] -= r3[5] * m0, r0[6] -= r3[6] * m0, r0[7] -= r3[7]
		* m0;
		m1 = r1[2]; /* now back substitute row 1 */
		s = 1.0F / r1[1];
		r1[4] = s * (r1[4] - r2[4] * m1), r1[5] = s * (r1[5] - r2[5] * m1),
		r1[6] = s * (r1[6] - r2[6] * m1), r1[7] = s * (r1[7] - r2[7] * m1);
		m0 = r0[2];
		r0[4] -= r2[4] * m0, r0[5] -= r2[5] * m0, r0[6] -= r2[6] * m0, r0[7] -= r2[7]
		* m0;
		m0 = r0[1]; /* now back substitute row 0 */
		s = 1.0F / r0[0];
		r0[4] = s * (r0[4] - r1[4] * m0), r0[5] = s * (r0[5] - r1[5] * m0),
		r0[6] = s * (r0[6] - r1[6] * m0), r0[7] = s * (r0[7] - r1[7] * m0);
		MAT(out, 0, 0) = r0[4];
		MAT(out, 0, 1) = r0[5], MAT(out, 0, 2) = r0[6];
		MAT(out, 0, 3) = r0[7], MAT(out, 1, 0) = r1[4];
		MAT(out, 1, 1) = r1[5], MAT(out, 1, 2) = r1[6];
		MAT(out, 1, 3) = r1[7], MAT(out, 2, 0) = r2[4];
		MAT(out, 2, 1) = r2[5], MAT(out, 2, 2) = r2[6];
		MAT(out, 2, 3) = r2[7], MAT(out, 3, 0) = r3[4];
		MAT(out, 3, 1) = r3[5], MAT(out, 3, 2) = r3[6];
		MAT(out, 3, 3) = r3[7];
		return 1;
		#undef MAT
		#undef SWAP_ROWS
		}
/*========================================================================*/		/*========================================================================*/
int *MatrixFilter(float cutoff, int window, int n_pass, int nv, const float *v1, const float *v2)		int *MatrixFilter(float cutoff, int window, int n_pass, int nv, const float *v1, const float *v2)
{		{
int *flag;		int *flag;
float center1[3], center2[3];		float center1[3], center2[3];
int a, b, c, cc;		int a, b, c, cc;
const float *vv1, *vv2;		const float *vv1, *vv2;
float *dev, avg_dev;		float *dev, avg_dev;
int wc;		int wc;
int start, finish;		int start, finish;
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