UnityMol  1.0.25beta
UMol.IonsSelection Class Reference
Inheritance diagram for UMol.IonsSelection:
UMol.MDASelection UMol.MetaClass

Public Member Functions

 IonsSelection (MDAnalysisSelection mda, string t, int p)
 
 IonsSelection (IonsSelection cpy)
 
override void init (List< string > tokens, ref int curId)
 
override HashSet< UnityMolAtomapply (HashSet< UnityMolAtom > group)
 
override MetaClass Clone ()
 
- Public Member Functions inherited from UMol.MDASelection
 MDASelection (MDAnalysisSelection mda, string t, int p)
 
 MDASelection (MDASelection cpy)
 
- Public Member Functions inherited from UMol.MetaClass
 MetaClass ()
 
 MetaClass (MetaClass cpy)
 

Static Public Attributes

static HashSet< string > ionNames
 
static HashSet< string > ionResidueNames
 
static HashSet< string > specialHG
 
static HashSet< string > specialCL
 

Additional Inherited Members

- Public Attributes inherited from UMol.MetaClass
MDAnalysisSelection mdaSel
 
string token
 
int precedence
 

Constructor & Destructor Documentation

◆ IonsSelection() [1/2]

UMol.IonsSelection.IonsSelection ( MDAnalysisSelection  mda,
string  t,
int  p 
)

◆ IonsSelection() [2/2]

UMol.IonsSelection.IonsSelection ( IonsSelection  cpy)

Member Function Documentation

◆ apply()

override HashSet<UnityMolAtom> UMol.IonsSelection.apply ( HashSet< UnityMolAtom group)
virtual

Implements UMol.MetaClass.

◆ Clone()

override MetaClass UMol.IonsSelection.Clone ( )
virtual

Implements UMol.MetaClass.

◆ init()

override void UMol.IonsSelection.init ( List< string >  tokens,
ref int  curId 
)
virtual

Implements UMol.MDASelection.

Member Data Documentation

◆ ionNames

HashSet<string> UMol.IonsSelection.ionNames
static
Initial value:
= new HashSet<string> {
"AL", "AS", "AU", "BE", "BR", "CO", "CU", "EU", "FE", "GD", "IR",
"MG", "MN", "MO", "NI", "PT", "RH", "RU", "SE", "TA", "ZN"
}

◆ ionResidueNames

HashSet<string> UMol.IonsSelection.ionResidueNames
static
Initial value:
= new HashSet<string> {
"PO4", "SOD", "SO4", "NH4"
}

◆ specialCL

HashSet<string> UMol.IonsSelection.specialCL
static
Initial value:
= new HashSet<string> {
"0QE", "CPT", "DCE", "EAA", "IMN", "OCZ", "OMY", "OMZ",
"UN9", "1N1", "2T8", "393", "3MY", "BMU", "CLM", "CP6",
"DB8", "DIF", "EFZ", "LUR", "RDC", "UCL", "XMM", "HLT",
"IRE", "LCP", "PCI", "VGH"
}

◆ specialHG

HashSet<string> UMol.IonsSelection.specialHG
static
Initial value:
= new HashSet<string> {
"CMH", "EMC", "MBO", "MMC", "HGB", "BE7", "PMB"
}

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