SDA  7.1
Simulation of Diffusional Association
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mod_init_position Module Reference

Groups functions for intialisation of position.
Include all random_position subroutines. More...

Collaboration diagram for mod_init_position:

Public Member Functions

subroutine init_position_protein (tab_protein, type_calc, geom, dist, iflex, current_conf,
 Initialize the position of the protein at each run.
. More...
 
subroutine random_pos_orient (prot, geom, t_calc)
 Set random position and orientation for one protein. More...
 

Detailed Description

Groups functions for intialisation of position.
Include all random_position subroutines.

Do not define objects

Member Function/Subroutine Documentation

subroutine mod_init_position::init_position_protein ( type ( array_protein_type )  tab_protein,
type ( type_calculation ), intent(in)  type_calc,
type ( geometry ), intent(in)  geom,
real ( kind=4 ), intent(out)  dist,
logical, intent(in)  iflex,
integer  current_conf 
)

Initialize the position of the protein at each run.
.

Used only by sda_2proteins Work with a restart for sda_koff
Otherwise generate a random position and orientation
Should be thread-safe ...normally...

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subroutine mod_init_position::random_pos_orient ( type ( protein )  prot,
type ( geometry ), intent(in)  geom,
type ( type_calculation ), intent(in)  t_calc 
)

Set random position and orientation for one protein.

Only this function should be called
Take into account the geometry and the type of calculation
If a surface is present with a sphere geometry, the position is chosen on the positive half-sphere ( with hardcoded parameter see random_position_halfsphere )

Parameters
prot: instance of protein
geom: instance of mod_geometry::geometry
t_calc: instance pf type_calculation

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