ScriptInterface::Analysis Namespace Reference

Classes
class	Analysis
class	ObservableStat

Functions
static void	check_topology (CellStructure const &cell_structure, int chain_start, int chain_length, int n_chains)
	Check if a contiguous range of particle ids exists.
void	initialize (Utils::Factory< ObjectHandle > *om)
static auto	get_summary (::System::System const &system, Observable_stat const &obs, bool const calc_sp)
	Generate an observable summary.

Function Documentation

check_topology()

static void ScriptInterface::Analysis::check_topology ( CellStructure const &  cell_structure, int  chain_start, int  chain_length, int  n_chains  )

static

Check if a contiguous range of particle ids exists.

Definition at line 53 of file Analysis.cpp.

References comm_cart, and CellStructure::get_local_particle().

Referenced by ScriptInterface::Analysis::Analysis::do_call_method().

get_summary()

static auto ScriptInterface::Analysis::get_summary ( ::System::System const &  system, Observable_stat const &  obs, bool const  calc_sp  )

static

Generate an observable summary.

Parameters

[in]	system	The system to analyze.
[in]	obs	The observable handle.
[in]	calc_sp	Whether to compute a scalar pressure.

Definition at line 43 of file ObservableStat.cpp.

References Observable_stat::accumulate(), Observable_stat::bonded_contribution(), System::System::bonded_ias, Observable_stat::coulomb, Observable_stat::dipolar, Observable_stat::external_fields, Observable_stat::get_chunk_size(), Observable_stat::kinetic, Observable_stat::non_bonded_inter_contribution(), Observable_stat::non_bonded_intra_contribution(), System::System::nonbonded_ias, and Observable_stat::virtual_sites.

Referenced by ScriptInterface::Analysis::ObservableStat::do_call_method().

initialize()

void ScriptInterface::Analysis::initialize

(

Utils::Factory< ObjectHandle > *

om

)

Definition at line 27 of file analysis/initialize.cpp.

References Utils::Factory< T >::register_new().

Referenced by ScriptInterface::initialize().