cctbx.adp_restraints
index
/net/chevy/raid1/nat/src/cctbx_project/cctbx/adp_restraints/__init__.py

 
Package Contents
       
energies
flags
tst_ext

 
Classes
       
__builtin__.object
adp_aniso_restraints
scitbx.restraints.energies(__builtin__.object)
energies_iso

 
class adp_aniso_restraints(__builtin__.object)
     Methods defined here:
__init__(self, xray_structure, restraints_manager, use_hd, selection=None)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
class energies_iso(scitbx.restraints.energies)
    
Method resolution order:
energies_iso
scitbx.restraints.energies
__builtin__.object

Methods defined here:
__init__(self, geometry_restraints_manager, xray_structure, parameters, use_u_local_only, use_hd, wilson_b=None, compute_gradients=True, gradients=None, normalization=False, collect=False)

Methods inherited from scitbx.restraints.energies:
__iadd__(O, rhs)
finalize_target_and_gradients(O)

Data descriptors inherited from scitbx.restraints.energies:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
Functions
       
adp_similarity_deltas_rms(...)
adp_similarity_deltas_rms( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_similarity_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>)
 
adp_similarity_deltas_rms( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_similarity_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>)
adp_similarity_residual_sum(...)
adp_similarity_residual_sum( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies, (sym_mat3_double)gradients_aniso_cart [, (object)gradients_iso]) -> float :
 
    C++ signature :
        double adp_similarity_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor> [,scitbx::af::ref<double, scitbx::af::trivial_accessor>])
 
adp_similarity_residual_sum( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies, (sym_mat3_double)gradients_aniso_cart [, (object)gradients_iso]) -> float :
 
    C++ signature :
        double adp_similarity_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor> [,scitbx::af::ref<double, scitbx::af::trivial_accessor>])
adp_similarity_residuals(...)
adp_similarity_residuals( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_similarity_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>)
 
adp_similarity_residuals( (adp_restraint_params)params, (shared_adp_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_similarity_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_similarity_proxy, scitbx::af::trivial_accessor>)
adp_u_eq_similarity_deltas_rms(...)
adp_u_eq_similarity_deltas_rms( (adp_restraint_params)params, (shared_adp_u_eq_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_u_eq_similarity_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_u_eq_similarity_proxy, scitbx::af::trivial_accessor>)
adp_u_eq_similarity_residual_sum(...)
adp_u_eq_similarity_residual_sum( (adp_restraint_params)params, (shared_adp_u_eq_similarity_proxy)proxies, (sym_mat3_double)gradients_aniso_cart, (object)gradients_iso) -> float :
 
    C++ signature :
        double adp_u_eq_similarity_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_u_eq_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor>,scitbx::af::ref<double, scitbx::af::trivial_accessor>)
adp_u_eq_similarity_residuals(...)
adp_u_eq_similarity_residuals( (adp_restraint_params)params, (shared_adp_u_eq_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_u_eq_similarity_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_u_eq_similarity_proxy, scitbx::af::trivial_accessor>)
adp_volume_similarity_deltas_rms(...)
adp_volume_similarity_deltas_rms( (adp_restraint_params)params, (shared_adp_volume_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_volume_similarity_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_volume_similarity_proxy, scitbx::af::trivial_accessor>)
adp_volume_similarity_residual_sum(...)
adp_volume_similarity_residual_sum( (adp_restraint_params)params, (shared_adp_volume_similarity_proxy)proxies, (sym_mat3_double)gradients_aniso_cart, (object)gradients_iso) -> float :
 
    C++ signature :
        double adp_volume_similarity_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_volume_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor>,scitbx::af::ref<double, scitbx::af::trivial_accessor>)
adp_volume_similarity_residuals(...)
adp_volume_similarity_residuals( (adp_restraint_params)params, (shared_adp_volume_similarity_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> adp_volume_similarity_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::adp_volume_similarity_proxy, scitbx::af::trivial_accessor>)
fixed_u_eq_adp_residual_sum(...)
fixed_u_eq_adp_residual_sum( (adp_restraint_params)params, (shared_fixed_u_eq_adp_proxy)proxies, (sym_mat3_double)gradients_aniso_cart, (object)gradients_iso) -> float :
 
    C++ signature :
        double fixed_u_eq_adp_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::fixed_u_eq_adp_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor>,scitbx::af::ref<double, scitbx::af::trivial_accessor>)
 
fixed_u_eq_adp_residual_sum( (adp_restraint_params)params, (shared_fixed_u_eq_adp_proxy)proxies, (sym_mat3_double)gradients_aniso_cart, (object)gradients_iso) -> float :
 
    C++ signature :
        double fixed_u_eq_adp_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::fixed_u_eq_adp_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor>,scitbx::af::ref<double, scitbx::af::trivial_accessor>)
fixed_u_eq_adp_residuals(...)
fixed_u_eq_adp_residuals( (adp_restraint_params)params, (shared_fixed_u_eq_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> fixed_u_eq_adp_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::fixed_u_eq_adp_proxy, scitbx::af::trivial_accessor>)
 
fixed_u_eq_adp_residuals( (adp_restraint_params)params, (shared_fixed_u_eq_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> fixed_u_eq_adp_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::fixed_u_eq_adp_proxy, scitbx::af::trivial_accessor>)
isotropic_adp_deltas_rms(...)
isotropic_adp_deltas_rms( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> isotropic_adp_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>)
 
isotropic_adp_deltas_rms( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> isotropic_adp_deltas_rms(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>)
isotropic_adp_residual_sum(...)
isotropic_adp_residual_sum( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies, (sym_mat3_double)gradients_aniso_cart [, (object)gradients_iso]) -> float :
 
    C++ signature :
        double isotropic_adp_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor> [,scitbx::af::ref<double, scitbx::af::trivial_accessor>])
 
isotropic_adp_residual_sum( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies, (sym_mat3_double)gradients_aniso_cart [, (object)gradients_iso]) -> float :
 
    C++ signature :
        double isotropic_adp_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor> [,scitbx::af::ref<double, scitbx::af::trivial_accessor>])
isotropic_adp_residuals(...)
isotropic_adp_residuals( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> isotropic_adp_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>)
 
isotropic_adp_residuals( (adp_restraint_params)params, (shared_isotropic_adp_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> isotropic_adp_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::isotropic_adp_proxy, scitbx::af::trivial_accessor>)
rigid_bond_deltas(...)
rigid_bond_deltas( (adp_restraint_params)params, (shared_rigid_bond_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> rigid_bond_deltas(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::rigid_bond_proxy, scitbx::af::trivial_accessor>)
rigid_bond_residual_sum(...)
rigid_bond_residual_sum( (adp_restraint_params)params, (shared_rigid_bond_proxy)proxies, (sym_mat3_double)gradients_aniso_cart) -> float :
 
    C++ signature :
        double rigid_bond_residual_sum(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::rigid_bond_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::sym_mat3<double>, scitbx::af::trivial_accessor>)
rigid_bond_residuals(...)
rigid_bond_residuals( (adp_restraint_params)params, (shared_rigid_bond_proxy)proxies) -> double :
 
    C++ signature :
        scitbx::af::shared<double> rigid_bond_residuals(cctbx::adp_restraints::adp_restraint_params<double>,scitbx::af::const_ref<cctbx::adp_restraints::rigid_bond_proxy, scitbx::af::trivial_accessor>)

 
Data
        __warningregistry__ = {("Not importing directory '/net/chevy/raid1/nat/src/cctbx_project/cctbx/adptbx': missing __init__.py", <type 'exceptions.ImportWarning'>, 9): True}
division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)