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. More...

type(listcomplexe), pointer	pcomplexe
	pointer to a subtype as ListComplexe More...

type(trajectory), pointer	ptrajectory
	pointer to a subtype as Trajectory More...

type(one_complexe), pointer	p_onecompl
	internal pointer to an instance of mod_onecomplexe, foor internal usage and convenience mainly More...

integer	io_compl
	file descriptor of the record More...

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

type(array_protein_type), pointer	ptab_prot
	pointer to tab of protein, use for writing the header More...

character(128)	format_string_ascii
	format string ( only ascii ) of mod_onecomplexe, computed during initialisation, should not change later More...

character(128)	format_header_ascii
	format of the header in ascii, format is constructed during initialization More...

character(128)	header_str
	full string for header in ascii constructed only once. Do not know how to make equivalent for binary. More...

character(512)	description_column_str
	user readable description of the column, should be with header_str, but do not manage to deal deal with new line More...

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 More...

character(10)	version
	for header, version not yet used, fixed to "version0.1" More...

integer	version_number
	Now used, more convenient to store a number. More...

type(type_calculation)	record_type_calc
	store the type of calculation : sda_2proteins, sdamm, sda_koff... More...


integer	nb_max_complexe
	general member variable of records More...

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. More...

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. More...

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. More...

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 ( 512 ) 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 ( 128 ) mod_record::record::format_header_ascii

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

◆ format_string_ascii

character ( 128 ) 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( 128 ) 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.

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

mod_record.f90

Public Attributes