cctbx.eltbx.xray_scattering package

Module contents

cctbx.eltbx.xray_scattering.best_approximation(scattering_type)

class cctbx.eltbx.xray_scattering.fitted_gaussian(stol, gaussian_sum, max_error=None)

Bases: gaussian

show(f=None, format=None)

sort()

cctbx.eltbx.xray_scattering.get_element_and_charge_symbols(scattering_type, exact=True)

class cctbx.eltbx.xray_scattering.one_gaussian_agarwal_1978

Bases: object

source = 'Agarwal, R.C. (1978). Acta Cryst. A34, 791-809, Table 3.'

source_short = 'Agarwal (1978)'

table = {'C': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'N': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'O': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'S': <cctbx_eltbx_xray_scattering_ext.gaussian object>}

class cctbx.eltbx.xray_scattering.two_gaussian_agarwal_1978

Bases: object

source = 'Agarwal, R.C. (1978). Acta Cryst. A34, 791-809, Table 1.'

source_short = 'Agarwal (1978)'

table = {'Ba2+': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'C': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'Fe2+': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'Fe3+': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'H': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'N': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'O': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'S': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'Zn2+': <cctbx_eltbx_xray_scattering_ext.gaussian object>}

class cctbx.eltbx.xray_scattering.two_gaussian_agarwal_isaacs

Bases: object

source = 'ccp4/lib/data/atomsf.lib Revision 1.4, Thu Feb 13 14:10:58 1997 UTC'

source_short = 'CCP4 atomsf.lib Rev. 1.4'

table = {'C': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'H': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'N': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'O': <cctbx_eltbx_xray_scattering_ext.gaussian object>, 'S': <cctbx_eltbx_xray_scattering_ext.gaussian object>}