UMol.MDAnalysisSelection Class Reference

Public Member Functions
	MDAnalysisSelection (string selStr, List< UnityMolAtom > atoms)
UnityMolSelection	process ()
bool	isKeyword (string val)
bool	isOperator (string s)
List< string >	getNotKeywords (List< string > tokens, ref int curId)

Static Public Member Functions
static bool	isProtein (UnityMolAtom a)
static bool	isProtein (UnityMolResidue r)
static bool	isNucleic (UnityMolAtom a)
static bool	isNucleic (UnityMolResidue r)
static bool	isBackBone (UnityMolAtom a, UnityMolBonds bonds)
static bool	isBondedToBackbone (UnityMolAtom a, UnityMolBonds bonds)
static bool	isSideChain (UnityMolAtom a, UnityMolBonds bonds)

Public Attributes
Dictionary< string, MDASelection >	selectionKeywords = new Dictionary<string, MDASelection>()
Dictionary< string, Operation >	operatorKeywords = new Dictionary<string, Operation>()
string	selectionStr
HashSet< UnityMolAtom >	input
SelectionParser	slP

Static Public Attributes
static HashSet< string >	predefinedKeywords

Constructor & Destructor Documentation

MDAnalysisSelection()

UMol.MDAnalysisSelection.MDAnalysisSelection	(	string	selStr,
		List< UnityMolAtom >	atoms
	)

Member Function Documentation

getNotKeywords()

List<string> UMol.MDAnalysisSelection.getNotKeywords	(	List< string >	tokens,
		ref int	curId
	)

isBackBone()

static bool UMol.MDAnalysisSelection.isBackBone ( UnityMolAtom  a, UnityMolBonds  bonds  )

static

isBondedToBackbone()

static bool UMol.MDAnalysisSelection.isBondedToBackbone ( UnityMolAtom  a, UnityMolBonds  bonds  )

static

isKeyword()

bool UMol.MDAnalysisSelection.isKeyword

(

string

val

)

isNucleic() [1/2]

static bool UMol.MDAnalysisSelection.isNucleic ( UnityMolAtom  a )

static

isNucleic() [2/2]

static bool UMol.MDAnalysisSelection.isNucleic ( UnityMolResidue  r )

static

isOperator()

bool UMol.MDAnalysisSelection.isOperator

(

string

s

)

isProtein() [1/2]

static bool UMol.MDAnalysisSelection.isProtein ( UnityMolAtom  a )

static

isProtein() [2/2]

static bool UMol.MDAnalysisSelection.isProtein ( UnityMolResidue  r )

static

isSideChain()

static bool UMol.MDAnalysisSelection.isSideChain ( UnityMolAtom  a, UnityMolBonds  bonds  )

static

process()

UnityMolSelection UMol.MDAnalysisSelection.process

(

)

Member Data Documentation

input

HashSet<UnityMolAtom> UMol.MDAnalysisSelection.input

operatorKeywords

Dictionary<string, Operation> UMol.MDAnalysisSelection.operatorKeywords = new Dictionary<string, Operation>()

predefinedKeywords

HashSet<string> UMol.MDAnalysisSelection.predefinedKeywords

static

Initial value:

= new HashSet<string>() {
        "all", "nothing", "empty", "not", "byres", "resid", "name",
        "type", "atomid", "resname", "chain", "ss", "protein", "nucleic", "backbone",
        "water", "ligand", "nucleicbackbone", "nucleicbase", "nucleicsugar",
        "prop", "around", "within", "insphere", "and", "or"
    }

selectionKeywords

Dictionary<string, MDASelection> UMol.MDAnalysisSelection.selectionKeywords = new Dictionary<string, MDASelection>()

selectionStr

string UMol.MDAnalysisSelection.selectionStr

slP

SelectionParser UMol.MDAnalysisSelection.slP

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

• C:/Users/Xavier/Dev/UnityMolX/Assets/Scripts/SelectionMDAnalysis/MDAnalysisSelection.cs