ffeatools.modules.FFEA_pdb.FFEA_pdb_atom Class Reference

Public Member Functions
def	__init__ (self)
def	set_structure (self, atomID=0, name="C", res="ARG", resID=0, occupancy=1.0, temperature=0.0, segID="A", element="C", charge="0", ffea_comment="")
def	reset (self)

Data Fields
	atomID
	name
	res
	resID
	occupancy
	temperature
	segID
	element
	charge
	ffea_comment

Constructor & Destructor Documentation

__init__()

def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.__init__

(

self

)

Member Function Documentation

reset()

def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset

(

self

)

Referenced by ffeatools.modules.FFEA_skeleton.FFEA_skeleton.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb.__init__(), ffeatools.modules.FFEA_springs.FFEA_springs.__init__(), ffeatools.modules.FFEA_vdw.FFEA_vdw.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.__init__(), ffeatools.modules.FFEA_pin.FFEA_pin.__init__(), ffeatools.modules.FFEA_stokes.FFEA_stokes.__init__(), ffeatools.modules.FFEA_topology.FFEA_topology.__init__(), ffeatools.modules.FFEA_script.FFEA_script.__init__(), ffeatools.modules.FFEA_surface.FFEA_surface.__init__(), ffeatools.modules.FFEA_springs.FFEA_spring.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb_blob.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_traj_blob.__init__(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb_frame.__init__(), ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.__init__(), ffeatools.modules.FFEA_surface.FFEA_face.__init__(), ffeatools.modules.FFEA_topology.FFEA_element.__init__(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.build_from_pdb(), ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb.build_from_traj(), ffeatools.modules.FFEA_trajectory.FFEA_trajectory.load(), ffeatools.modules.FFEA_surface.FFEA_surface.load_face(), ffeatools.modules.FFEA_surface.FFEA_surface.load_vol(), and ffeatools.modules.FFEA_pin.FFEA_pin.pin_radially().

set_structure()

def ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.set_structure	(		self,
			atomID = 0,
			name = "C",
			res = "ARG",
			resID = 0,
			occupancy = 1.0,
			temperature = 0.0,
			segID = "A",
			element = "C",
			charge = "0",
			ffea_comment = ""
	)

Referenced by ffeatools.modules.FFEA_pdb_OLD.FFEA_pdb_atom.__init__().

Field Documentation

atomID

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.atomID

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

charge

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.charge

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

element

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.element

Referenced by ffeatools.modules.FFEA_topology.FFEA_topology.add_element(), ffeatools.modules.FFEA_topology.FFEA_topology.calc_CoM(), ffeatools.modules.FFEA_topology.FFEA_topology.calc_mass(), ffeatools.modules.FFEA_topology.FFEA_topology.calculate_strain_energy(), ffeatools.modules.FFEA_topology.FFEA_topology.calculate_volume(), ffeatools.modules.FFEA_topology.FFEA_topology.calculateInterior(), ffeatools.modules.FFEA_topology.FFEA_topology.cull_interior(), ffeatools.modules.FFEA_topology.FFEA_topology.extract_surface(), ffeatools.modules.FFEA_topology.FFEA_topology.get_linear_nodes(), ffeatools.modules.FFEA_topology.FFEA_topology.get_num_elements(), ffeatools.modules.FFEA_topology.FFEA_topology.get_smallest_lengthscale(), ffeatools.modules.FFEA_topology.FFEA_topology.increase_order(), ffeatools.modules.FFEA_topology.FFEA_topology.index_switch(), ffeatools.modules.FFEA_topology.FFEA_topology.isElementInterior(), ffeatools.modules.FFEA_topology.FFEA_topology.load_vol(), ffeatools.modules.FFEA_topology.FFEA_topology.print_details(), ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset(), ffeatools.modules.FFEA_topology.FFEA_topology.reset(), ffeatools.modules.FFEA_topology.FFEA_topology.upgrade_element(), and ffeatools.modules.FFEA_topology.FFEA_topology.write_to_file().

ffea_comment

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.ffea_comment

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

name

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.name

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

occupancy

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.occupancy

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

res

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.res

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

resID

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.resID

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

segID

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.segID

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

temperature

ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.temperature

Referenced by ffeatools.modules.FFEA_pdb.FFEA_pdb_atom.reset().

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

• FFEA_pdb.py