peptoid_rotlib_test2.cc File Reference

Test the peptoid rotlibs. More...

#include <core/init.hh>
#include <core/types.hh>
#include <numeric/numeric.functions.hh>
#include <numeric/angle.functions.hh>
#include <basic/basic.hh>
#include <iostream>
#include <string>

Functions
const Real	OMG_BINRANGE (10.00)
const Real	PHI_BINRANGE (10.00)
const Real	PSI_BINRANGE (10.00)
const Size	N_OMG_BINS (7)
const Size	N_PHI_BINS (36)
const Size	N_PSI_BINS (36)
const Real	CIS_OMG_LOWER_RANGE (-30.0)
const Real	CIS_OMG_UPPER_RANGE (30.0)
const Real	TRANS_OMG_LOWER_RANGE (150.0)
const Real	TRANS_OMG_UPPER_RANGE (-150.0)
const Real	CIS_UPPER_TRANS_LOWER_SPLIT (90.0)
const Real	TRANS_UPPER_CIS_LOWER_SPLIT (-90.0)
void	bin_angle (Real const angle_start, Real const angle_step, Real const angle_range, Size const nbins, Real const ang, Size &bin_lower, Size &bin_upper, Real &angle_alpha)
void	get_omgphipsi_bins (Real omg, Real phi, Real psi, Size &omgbin, Size &phibin, Size &psibin, Size &omgbin_next, Size &phibin_next, Size &psibin_next, Real &omg_alpha, Real &phi_alpha, Real &psi_alpha)
int	main (int argc, char *argv[])

Detailed Description

Test the peptoid rotlibs.

Author

P. Douglas Renfrew (renfr.nosp@m.ew@n.nosp@m.yu.ed.nosp@m.u)

Function Documentation

bin_angle()

void bin_angle	(	Real const	angle_start,
		Real const	angle_step,
		Real const	angle_range,
		Size const	nbins,
		Real const	ang,
		Size &	bin_lower,
		Size &	bin_upper,
		Real &	angle_alpha
	)

References ObjexxFCL::abs(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::ang, test.T009_Exceptions::e, and numeric::mod().

Referenced by get_omgphipsi_bins().

CIS_OMG_LOWER_RANGE()

const Real CIS_OMG_LOWER_RANGE

(

-30.

0

)

Referenced by get_omgphipsi_bins().

CIS_OMG_UPPER_RANGE()

const Real CIS_OMG_UPPER_RANGE

(

30.

0

)

Referenced by get_omgphipsi_bins().

CIS_UPPER_TRANS_LOWER_SPLIT()

const Real CIS_UPPER_TRANS_LOWER_SPLIT

(

90.

0

)

Referenced by get_omgphipsi_bins().

get_omgphipsi_bins()

void get_omgphipsi_bins	(	Real	omg,
		Real	phi,
		Real	psi,
		Size &	omgbin,
		Size &	phibin,
		Size &	psibin,
		Size &	omgbin_next,
		Size &	phibin_next,
		Size &	psibin_next,
		Real &	omg_alpha,
		Real &	phi_alpha,
		Real &	psi_alpha
	)

References bin_angle(), CIS_OMG_LOWER_RANGE(), CIS_OMG_UPPER_RANGE(), CIS_UPPER_TRANS_LOWER_SPLIT(), utility::io::oc::cout, N_OMG_BINS(), N_PHI_BINS(), N_PSI_BINS(), numeric::nonnegative_principal_angle_degrees(), OMG_BINRANGE(), basic::periodic_range(), oop_conformations::phi, PHI_BINRANGE(), numeric::principal_angle_degrees(), oop_conformations::psi, PSI_BINRANGE(), TRANS_OMG_LOWER_RANGE(), TRANS_OMG_UPPER_RANGE(), and TRANS_UPPER_CIS_LOWER_SPLIT().

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, get_omgphipsi_bins(), basic::init(), oop_conformations::phi, and oop_conformations::psi.

N_OMG_BINS()

const Size N_OMG_BINS

(

7

)

Referenced by get_omgphipsi_bins().

N_PHI_BINS()

const Size N_PHI_BINS

(

36

)

Referenced by get_omgphipsi_bins().

N_PSI_BINS()

const Size N_PSI_BINS

(

36

)

Referenced by get_omgphipsi_bins().

OMG_BINRANGE()

const Real OMG_BINRANGE

(

10.

00

)

Referenced by get_omgphipsi_bins().

PHI_BINRANGE()

const Real PHI_BINRANGE

(

10.

00

)

Referenced by get_omgphipsi_bins().

PSI_BINRANGE()

const Real PSI_BINRANGE

(

10.

00

)

Referenced by get_omgphipsi_bins().

TRANS_OMG_LOWER_RANGE()

const Real TRANS_OMG_LOWER_RANGE

(

150.

0

)

Referenced by get_omgphipsi_bins().

TRANS_OMG_UPPER_RANGE()

const Real TRANS_OMG_UPPER_RANGE

(

-150.

0

)

Referenced by get_omgphipsi_bins().

TRANS_UPPER_CIS_LOWER_SPLIT()

const Real TRANS_UPPER_CIS_LOWER_SPLIT

(

-90.

0

)

Referenced by get_omgphipsi_bins().