SDA  7.1
Simulation of Diffusional Association
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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(128) format_string_ascii
 format string ( only ascii ) of mod_onecomplexe, computed during initialisation, should not change later
 
character(128) format_header_ascii
 format of the header in ascii, format is constructed during initialization
 
character(128) header_str
 full string for header in ascii constructed only once. Do not know how to make equivalent for binary.
 
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
 
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.


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