mod_record::record Type Reference

Main "base" class
All derived can be created from this one. More...

Collaboration diagram for mod_record::record:

Public Attributes
integer	type_record
	Type of the record : complexe or trajectory.
type(listcomplexe), pointer	pcomplexe
	pointer to a subtype as ListComplexe
type(trajectory), pointer	ptrajectory
	pointer to a subtype as Trajectory
type(one_complexe), pointer	p_onecompl
	internal pointer to an instance of mod_onecomplexe, foor internal usage and convenience mainly
integer	io_compl
	file descriptor of the record
integer	max_fields
	new, maximum number of fields to add, for the moment hardcoded, should be set up by one complexe ?? but only once
type(array_protein_type), pointer	ptab_prot
	pointer to tab of protein, use for writing the header
character(1024)	format_string_ascii
	format string ( only ascii ) of mod_onecomplexe, computed during initialisation, should not change later
character(1024)	format_header_ascii
	format of the header in ascii, format is constructed during initialization
character(1024)	header_str
	full string for header in ascii constructed only once. Do not know how to make equivalent for binary.
character(1024)	description_column_str
	user readable description of the column, should be with header_str, but do not manage to deal deal with new line
logical	format_ascii
	if true format is ascii, if false input or output format is binary Input type can be tested with subroutine test_binary
character(10)	version
	for header, version not yet used, fixed to "version0.1"
integer	version_number
	Now used, more convenient to store a number.
type(type_calculation)	record_type_calc
	store the type of calculation : sda_2proteins, sdamm, sda_koff...
integer	nb_max_complexe
	general member variable of records
integer	ntraj_rec
integer	freq_print
integer	nb_protein
logical	opt_sum
logical	box_info
integer	nb_int
	Local information about the size of mod_onecomplexe array\ new nb_real_to_sum, needed to indicate to set_onecomplexe how many fields for each interaction.
integer	nb_real
integer	nb_other_real
integer	nb_types
integer(kind=2)	bit_energy
	Internal use, indicates the content of the integer and energy of mod_onecomplexe.
integer(kind=2)	bit_integer
integer	indice_ntraj
	Trick here, keep the indice for accessing ntraj, nrun,.. because not known by onecomplexe, and needed for test one_run one_conf.
integer	indice_nstep
integer	indice_nprot
integer	indice_nconf

Detailed Description

Main "base" class
All derived can be created from this one.

Member Data Documentation

bit_energy

integer ( kind=2 ) mod_record::record::bit_energy

Internal use, indicates the content of the integer and energy of mod_onecomplexe.

bit_integer

integer ( kind=2 ) mod_record::record::bit_integer

box_info

logical mod_record::record::box_info

description_column_str

character ( 1024 ) mod_record::record::description_column_str

user readable description of the column, should be with header_str, but do not manage to deal deal with new line

format_ascii

logical mod_record::record::format_ascii

if true format is ascii, if false input or output format is binary Input type can be tested with subroutine test_binary

format_header_ascii

character ( 1024 ) mod_record::record::format_header_ascii

format of the header in ascii, format is constructed during initialization

format_string_ascii

character ( 1024 ) mod_record::record::format_string_ascii

format string ( only ascii ) of mod_onecomplexe, computed during initialisation, should not change later

freq_print

integer mod_record::record::freq_print

header_str

character( 1024 ) mod_record::record::header_str

full string for header in ascii constructed only once. Do not know how to make equivalent for binary.

indice_nconf

integer mod_record::record::indice_nconf

indice_nprot

integer mod_record::record::indice_nprot

indice_nstep

integer mod_record::record::indice_nstep

indice_ntraj

integer mod_record::record::indice_ntraj

Trick here, keep the indice for accessing ntraj, nrun,..
because not known by onecomplexe, and needed for test one_run one_conf.

io_compl

integer mod_record::record::io_compl

file descriptor of the record

max_fields

integer mod_record::record::max_fields

new, maximum number of fields to add, for the moment hardcoded, should be set up by one complexe ?? but only once

nb_int

integer mod_record::record::nb_int

Local information about the size of mod_onecomplexe array\ new nb_real_to_sum, needed to indicate to set_onecomplexe how many fields for each interaction.

nb_max_complexe

integer mod_record::record::nb_max_complexe

general member variable of records

nb_other_real

integer mod_record::record::nb_other_real

nb_protein

integer mod_record::record::nb_protein

nb_real

integer mod_record::record::nb_real

nb_types

integer mod_record::record::nb_types

ntraj_rec

integer mod_record::record::ntraj_rec

opt_sum

logical mod_record::record::opt_sum

p_onecompl

type ( one_complexe ), pointer mod_record::record::p_onecompl

internal pointer to an instance of mod_onecomplexe, foor internal usage and convenience mainly

pcomplexe

type ( listcomplexe ), pointer mod_record::record::pcomplexe

pointer to a subtype as ListComplexe

ptab_prot

type ( array_protein_type ), pointer mod_record::record::ptab_prot

pointer to tab of protein, use for writing the header

ptrajectory

type ( trajectory ), pointer mod_record::record::ptrajectory

pointer to a subtype as Trajectory

record_type_calc

type ( type_calculation ) mod_record::record::record_type_calc

store the type of calculation : sda_2proteins, sdamm, sda_koff...

type_record

integer mod_record::record::type_record

Type of the record : complexe or trajectory.

version

character(10) mod_record::record::version

for header, version not yet used, fixed to "version0.1"

version_number

integer mod_record::record::version_number

Now used, more convenient to store a number.

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The documentation for this type was generated from the following file:

• mod_record.f90