#38, removed unused annotations (1a080445) · Commits · docking / ocladock

host/inc/miscellaneous.h

+4 −4

Original line number	Diff line number	Diff line
		@@ -66,8 +66,10 @@ double distance(const double [], const double []);

		void vec_point2line(const double [], const double [], const double [], double []);

		void rotate(double [], const double [], const double [], const double*, int);

		#if 0
		// -------------------------------------------------------------------
		// L30nardoSV
		// Replacing rotation genes: from spherical space to Shoemake space
		// gene [0:2]: translation -> kept as original x, y, z
		// gene [3:5]: rotation -> transformed into Shoemake (u1: adimensional, u2&u3: sexagesimal)
		@@ -80,10 +82,8 @@ void vec_point2line(const double [], const double [], const double [], double []
		// Random generator in the host is changed:
		// LCG (original, myrand()) -> CPP std (rand())
		// -------------------------------------------------------------------

		void rotate(double [], const double [], const double [], const double*, int);

		void rotate_shoemake(double [], const double [], const double [], int);
		#endif

		double angle_of_vectors(const double [], const double []);

host/src/processligand.cpp

+13 −14

Original line number	Diff line number	Diff line
		@@ -1217,20 +1217,6 @@ void calc_q_tables_f(const Liganddata* myligand,

		}

		// -------------------------------------------------------------------
		// L30nardoSV
		// Replacing rotation genes: from spherical space to Shoemake space
		// gene [0:2]: translation -> kept as original x, y, z
		// gene [3:5]: rotation -> transformed into Shoemake (u1: adimensional, u2&u3: sexagesimal)
		// gene [6:N]: torsions -> kept as original angles (all in sexagesimal)

		// Shoemake ranges:
		// u1: [0, 1]
		// u2: [0: 2PI] or [0: 360]

		// Random generator in the host is changed:
		// LCG (original, myrand()) -> CPP std (rand())
		// -------------------------------------------------------------------
		#if 1
		void change_conform_f(Liganddata* myligand,
		const float genotype_f [],
		@@ -1320,6 +1306,19 @@ void change_conform_f(Liganddata* myligand,
		#endif // End of original change_conform_f()

		#if 0
		// -------------------------------------------------------------------
		// Replacing rotation genes: from spherical space to Shoemake space
		// gene [0:2]: translation -> kept as original x, y, z
		// gene [3:5]: rotation -> transformed into Shoemake (u1: adimensional, u2&u3: sexagesimal)
		// gene [6:N]: torsions -> kept as original angles (all in sexagesimal)

		// Shoemake ranges:
		// u1: [0, 1]
		// u2: [0: 2PI] or [0: 360]

		// Random generator in the host is changed:
		// LCG (original, myrand()) -> CPP std (rand())
		// -------------------------------------------------------------------
		void change_conform_f(Liganddata* myligand,
		const float genotype_f [],
		float* cpu_ref_ori_angles,