Implements the extraction of the aromatic rings in the SSSR of a molecular graph.
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None | __init__ () |
| | Constructs an empty AromaticSSSRSubset instance.
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| None | __init__ (AromaticSSSRSubset arom_sssr) |
| | Contructs a copy of the AromaticSSSRSubset instance arom_sssr. More...
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| None | __init__ (MolecularGraph molgraph) |
| | Construct a AromaticSSSRSubset instance that contains all aromatic rings of the SSSR of the molecular graph molgraph. More...
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| AromaticSSSRSubset | assign (AromaticSSSRSubset arom_sssr) |
| | Replaces the current state with a copy of the state of the AromaticSSSRSubset instance arom_sssr. More...
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| None | extract (MolecularGraph molgraph) |
| | Replaces the current set of rings by the aromatic rings in the SSSR of the molecular graph molgraph. More...
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| None | __init__ (FragmentList list) |
| | Contructs a copy of the FragmentList instance list. More...
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| int | getObjectID () |
| | Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
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| int | getSize () |
| | Returns the number of elements stored in the list. More...
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| bool | isEmpty () |
| | Tells whether the list is empty (getSize() == 0). More...
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| None | resize (int num_elem, Fragment value) |
| | Inserts or erases elements at the end so that the size becomes num_elem. More...
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| None | reserve (int num_elem) |
| | Preallocates memory for (at least) num_elem elements. More...
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| int | getCapacity () |
| | Returns the number of elements for which memory has been allocated. More...
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None | clear () |
| | Erases all elements.
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| FragmentList | assign (FragmentList list) |
| | Replaces the current state with a copy of the state of the FragmentList instance list. More...
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| None | assign (int num_elem, Fragment value) |
| | This function fills the array with num_elem copies of the given value. More...
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| None | addElement (Fragment value) |
| | Adds a new element at the end of the list. More...
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| None | addElements (FragmentList values) |
| | Adds the elements of values to the end of the list. More...
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| None | insertElement (int idx, Fragment value) |
| | Inserts a new element before the location specified by the index idx. More...
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| None | insertElements (int idx, int num_elem, Fragment value) |
| | Inserts num_elem copies of value before the location specified by the index idx. More...
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| None | insertElements (int idx, FragmentList values) |
| | Insert the elements of values before the location specified by the index idx. More...
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| None | popLastElement () |
| | Removes the last element of the list. More...
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| None | removeElement (int idx) |
| | Removes the element at index idx. More...
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| None | removeElements (int begin_idx, int end_idx) |
| | Removes the elements at indices in the range [begin_idx, end_idx). More...
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| Fragment | getFirstElement () |
| | Returns the first element of the list. More...
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| Fragment | getLastElement () |
| | Returns the last element of the list. More...
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| Fragment | getElement (int idx) |
| | Returns the element at index idx. More...
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| None | setElement (int idx, Fragment value) |
| | Assigns a new value to the element at index idx. More...
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| None | __delitem__ (int idx) |
| | Removes the element at index idx. More...
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| Fragment | __getitem__ (int idx) |
| | Returns the element at index idx. More...
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| int | __len__ () |
| | Returns the number of elements stored in the list. More...
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| None | __setitem__ (int idx, Fragment value) |
| | Assigns a new value to the element at index idx. More...
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| bool | __eq__ (object list) |
| | Returns the result of the comparison operation self == list. More...
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| bool | __ne__ (object list) |
| | Returns the result of the comparison operation self != list. More...
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Implements the extraction of the aromatic rings in the SSSR of a molecular graph.
Inheritance diagram for CDPL.Chem.AromaticSSSRSubset:
1.9.1