Package csb :: Package bio :: Package nmr :: Class NOESpectrum |
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# Class NOESpectrum

source code

    object --+
             |
            NOESpectrum

Describes an NOE spectrum.

Instance Methods
__getitem__(self, i) | source code
__init__(self, elements) x.__init__(...) initializes x; see help(type(x)) for signature | source code
__iter__(self) | source code
__len__(self) | source code
__str__(self) str(x) | source code
add(self, intensity, dimensions) Add a new NOE peak. | source code
connect(self, i1, i2) Mark dimensions with indices `i1` and `i2` as covalently connected. | source code
iterable of int |
connected_dimensions(self, i) Return a list of all dimension indices, covalently connected to dimension `i`. | source code
EnumItem |
element(self, i) Return the chemical element (nucleus) type at dimension index `i`. | source code
bool |
has_connected_dimensions(self, i) Return True of dimension index `i` has covalently connected dimensions. | source code
bool |
has_element(self, e) Return True if the spectrum contains a dimension of the specified type | source code
Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__subclasshook__`

Static Methods
NOESpectrum |
join(spectrum, *spectra) Merge multiple NOESpectrum instances. | source code

Properties
tuple of EnumItem | dimensions Tuple of all dimensions (nucleus types)
float | max_intensity Maximum intensity
float | min_intensity Minimum intensity
int | num_dimensions Number of dimensions
int | num_proton_dimensions Number of proton dimensions
tuple of int | proton_dimensions Tuple of all proton dimension indices
Inherited from `object`: `__class__`

Method Details

### __init__(self, elements) (Constructor) | source code
x.__init__(...) initializes x; see help(type(x)) for signature Parameters: `elements` (iterable of EnumItem (ChemElements) or str) - list of dimension (nucleus) types for each dimension Overrides: object.__init__ (inherited documentation)

### __str__(self) (Informal representation operator) | source code
str(x) Overrides: object.__str__ (inherited documentation)

### add(self, intensity, dimensions) | source code
Add a new NOE peak. Parameters: `intensity` (float) - peak intensity `dimensions` - list of dimension values `dimensions` - iterable of float

### connect(self, i1, i2) | source code
Mark dimensions with indices `i1` and `i2` as covalently connected. Parameters: `i1` (int) - dimension index 1 (0-based) `i2` (int) - dimension index 2 (0-based)

### connected_dimensions(self, i) | source code
Return a list of all dimension indices, covalently connected to dimension `i`. Parameters: `i` (int) - dimension index (0-based) Returns: iterable of int

### has_connected_dimensions(self, i) | source code
Return True of dimension index `i` has covalently connected dimensions. Parameters: `i` (int) - dimension index (0-based) Returns: bool

### has_element(self, e) | source code
Return True if the spectrum contains a dimension of the specified type Parameters: `e` (EnumItem) - element (dimension) type (see ChemElements) Returns: bool

### join(spectrum, *spectra) Static Method | source code
Merge multiple NOESpectrum instances. All `spectra` must have matching dimensions according to the master `spectrum`. Returns: NOESpectrum merged spectrum

Property Details

### dimensions Tuple of all dimensions (nucleus types) Get Method: unreachable.dimensions(self) - Tuple of all dimensions (nucleus types) Type: tuple of EnumItem

### max_intensity Maximum intensity Get Method: unreachable.max_intensity(self) - Maximum intensity Type: float

### min_intensity Minimum intensity Get Method: unreachable.min_intensity(self) - Minimum intensity Type: float

### num_dimensions Number of dimensions Get Method: unreachable.num_dimensions(self) - Number of dimensions Type: int

### num_proton_dimensions Number of proton dimensions Get Method: unreachable.num_proton_dimensions(self) - Number of proton dimensions Type: int

### proton_dimensions Tuple of all proton dimension indices Get Method: unreachable.proton_dimensions(self) - Tuple of all proton dimension indices Type: tuple of int