SelectionParser

class sknano.core.atoms.SelectionParser(atoms=None, selstr=None, **kwargs)

Bases: sknano.core.meta.BaseClass

Selection parser class.

Attributes

fmtstr

Format string.

Methods

ALL
AND
ATOMICNUMBER
ATOM_ATTRIBUTE
CONE
CUBE
CUBOID
CYLINDER
ELEMENT
ELLIPSOID
EXWITHIN
ID
INDEX
LPAR
MOLID
NAME
NONE
NOT
NUMBONDS
OF
OR
PARALLELEPIPED
REGIONS
RESIDUE
RPAR
SERIAL
SPHERE
TYPE
WITHIN
all_selection_expression
attr_selection_expression
expr
expr_term
exwithin_selection_expression
grouped_expr
id_selection_expression
molid_selection_expression
none_selection_expression
parse([selstr])	Parse selstr.
region_expression
selection_expression
todict()
type_selection_expression
within_selection_expression

Attributes Summary

ALL
AND
ATOMICNUMBER
ATOM_ATTRIBUTE
CONE
CUBE
CUBOID
CYLINDER
ELEMENT
ELLIPSOID
EXWITHIN
ID
INDEX
LPAR
MOLID
NAME
NONE
NOT
NUMBONDS
OF
OR
PARALLELEPIPED
REGIONS
RESIDUE
RPAR
SERIAL
SPHERE
TYPE
WITHIN
all_selection_expression
attr_selection_expression
expr
expr_term
exwithin_selection_expression
grouped_expr
id_selection_expression
molid_selection_expression
none_selection_expression
region_expression
selection_expression
type_selection_expression
within_selection_expression

Methods Summary

parse([selstr])	Parse selstr.
todict()

Attributes Documentation

ALL = "all"

AND = "and"

ATOMICNUMBER = "atomicnumber"

ATOM_ATTRIBUTE = x | y | z | r | vx | vy | vz | v | fx | fy | fz | f | Z | element | symbol | mass | CN

CONE = "Cone"

CUBE = "Cube"

CUBOID = "Cuboid"

CYLINDER = "Cylinder"

ELEMENT = "element"

ELLIPSOID = "Ellipsoid"

EXWITHIN = "exwithin"

ID = "id"

INDEX = "index"

LPAR = Suppress:("(")

MOLID = {"molid" | "mol"}

NAME = "name"

NONE = "none"

NOT = "not"

NUMBONDS = "numbonds"

OF = "of"

OR = "or"

PARALLELEPIPED = "Parallelepiped"

REGIONS = {{{{{{"Parallelepiped" | "Cuboid"} | "Cube"} | "Ellipsoid"} | "Sphere"} | "Cylinder"} | "Cone"}

RESIDUE = "residue"

RPAR = Suppress:(")")

SERIAL = "serial"

SPHERE = "Sphere"

TYPE = "type"

WITHIN = "within"

all_selection_expression = Suppress:("all")

attr_selection_expression = {{x | y | z | r | vx | vy | vz | v | fx | fy | fz | f | Z | element | symbol | mass | CN [<= | < | == | >= | > | != | LT | LE | EQ | GT | GE | NE]} {{Re:('[+-]?\\d+(\\.\\d*)?([eE][+-]?\\d+)?') | Re:('[+-]?\\d+')} | W:(ABCD...)}}

expr = Forward: ...

expr_term = Forward: ...

exwithin_selection_expression = {{{Suppress:("exwithin") {Re:('[+-]?\\d+(\\.\\d*)?([eE][+-]?\\d+)?') | Re:('[+-]?\\d+')}} Suppress:("of")} Forward: ...}

grouped_expr = {{Suppress:("(") Forward: ...} Suppress:(")")}

id_selection_expression = {Suppress:("id") {Re:('[+-]?\\d+')}... [ {Re:('[+-]?\\d+')}...]...}

molid_selection_expression = {Suppress:({"molid" | "mol"}) {Re:('[+-]?\\d+')}... [ {Re:('[+-]?\\d+')}...]...}

none_selection_expression = Suppress:("none")

region_expression = {{{{{{{{{"Parallelepiped" | "Cuboid"} | "Cube"} | "Ellipsoid"} | "Sphere"} | "Cylinder"} | "Cone"} Suppress:("(")} Forward: ...} Suppress:(")")}

selection_expression = Forward: ...

type_selection_expression = {Suppress:("type") {Re:('[+-]?\\d+')}... [ {Re:('[+-]?\\d+')}...]...}

within_selection_expression = {Suppress:("within") {{{{Re:('[+-]?\\d+(\\.\\d*)?([eE][+-]?\\d+)?') | Re:('[+-]?\\d+')} Suppress:("of")} Forward: ...} | {{{{{{{{{"Parallelepiped" | "Cuboid"} | "Cube"} | "Ellipsoid"} | "Sphere"} | "Cylinder"} | "Cone"} Suppress:("(")} Forward: ...} Suppress:(")")}}}

Methods Documentation

parse(selstr=None, **kwargs)

Parse selstr.

todict()