Groups functions for intialisation of position.
Include all random_position subroutines.
More...
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... | |
Groups functions for intialisation of position.
Include all random_position subroutines.
Do not define objects
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...
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 )
prot | : instance of protein |
geom | : instance of mod_geometry::geometry |
t_calc | : instance pf type_calculation |