msasim 2024.5.22__cp38-cp38-musllinux_1_1_x86_64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- Sailfish/__init__.py +0 -0
- Sailfish/simulator.py +537 -0
- _Sailfish.cpython-38-x86_64-linux-gnu.so +0 -0
- msasim-2024.5.22.dist-info/LICENSE +172 -0
- msasim-2024.5.22.dist-info/METADATA +13 -0
- msasim-2024.5.22.dist-info/RECORD +10 -0
- msasim-2024.5.22.dist-info/WHEEL +5 -0
- msasim-2024.5.22.dist-info/top_level.txt +2 -0
- msasim.libs/libgcc_s-a04fdf82.so.1 +0 -0
- msasim.libs/libstdc++-a9383cce.so.6.0.28 +0 -0
Sailfish/__init__.py
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Sailfish/simulator.py
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import _Sailfish
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import os, warnings, math, operator, time, profile
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from functools import reduce
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from typing import List, Optional, Dict
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from re import split
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from enum import Enum
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# print(_Sailfish.Tree)
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# print(_Sailfish.Simulator)
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# print(_Sailfish.SimProtocol)
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# print(_Sailfish.Msa)
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# print(_Sailfish.DiscreteDistribution)
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# print(_Sailfish.modelFactory)
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# print(_Sailfish.alphabetCode)
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# print(_Sailfish.modelCode)
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MODEL_CODES = _Sailfish.modelCode
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class SIMULATION_TYPE(Enum):
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DNA = 1
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PROTEIN = 2
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class Distribution:
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def set_dist(self, dist):
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# sum should be "around" 1
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epsilon = 10e-6
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if abs(sum(dist)-1) > epsilon:
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raise ValueError(f"Sum of the distribution should be 1 for a valid probability distribution. Input received is: {dist}, sum is {sum(dist)}")
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for x in dist:
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if x < 0 or x > 1:
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raise ValueError(f"Each value of the probabilities should be between 0 to 1. Received a value of {x}")
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self._dist = _Sailfish.DiscreteDistribution(dist)
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def draw_sample(self) -> int:
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return self._dist.draw_sample()
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def set_seed(self, seed: int) -> None:
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return self._dist.set_seed(seed)
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def get_table(self) -> List:
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return self._dist.get_table()
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def _get_Sailfish_dist(self) -> _Sailfish.DiscreteDistribution:
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return self._dist
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class CustomDistribution(Distribution):
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'''
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Provide a custom discrete distribution to the model.
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'''
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def __init__(self, dist: List[float]):
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self.set_dist(dist)
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class GeometricDistribution(Distribution):
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def __init__(self, p: float, truncation: int = 150):
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"""
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Calculation of geoemtric moment
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inputs:
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p - p parameter of the geoemtric distribution
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truncation - (optional, by default 150) maximal value of the distribution
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"""
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self.p = p
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self.truncation = truncation
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PMF = lambda x: p*(1-p)**(x-1)
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CDF = lambda x: 1-(1-p)**x
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norm_factor = CDF(truncation) - CDF(0)
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probabilities = [PMF(i)/norm_factor for i in range(1, truncation+1)]
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# probabilities = probabilities / norm_factor
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self.set_dist(probabilities)
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def __repr__(self) -> str:
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return f"Geometric distribution: (p={self.p}, truncation{self.truncation})"
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class PoissonDistribution(Distribution):
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def __init__(self, p: float, truncation: int = 150):
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"""
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Calculation of geoemtric moment
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inputs:
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p - p parameter of the geoemtric distribution
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truncation - (optional, by default 150) maximal value of the distribution
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"""
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self.p = p
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self.truncation = truncation
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factorial = lambda z: reduce(operator.mul, [1, 1] if z == 0 else range(1,z+1))
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PMF = lambda x: ((p**x)*(math.e**-p))*(1.0/factorial(x))
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CDF = lambda x: (math.e**-p)*sum([(p**i)*(1.0/factorial(i)) for i in range(0,x+1)])
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norm_factor = CDF(truncation) - CDF(0)
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probabilities = [PMF(i)/norm_factor for i in range(1, truncation+1)]
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self.set_dist(probabilities)
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def __repr__(self) -> str:
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return f"Poisson distribution: (p={self.p}, truncation{self.truncation})"
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class ZipfDistribution(Distribution):
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def __init__(self, p: float, truncation: int = 150):
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"""
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Calculation of geoemtric moment
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inputs:
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p - p parameter of the geoemtric distribution
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truncation - (optional, by default 150) maximal value of the distribution
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"""
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self.p = p
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self.truncation = truncation
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HARMONIC = lambda n,s: sum([(i**-s) for i in range(1,n+1)])
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PMF = lambda x: (x**-p)*(1.0/HARMONIC(truncation, p))
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CDF = lambda x: HARMONIC(x, p) / HARMONIC(truncation, p)
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norm_factor = CDF(truncation) - CDF(0)
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probabilities = [PMF(i)/norm_factor for i in range(1, truncation+1)]
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self.set_dist(probabilities)
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def __repr__(self) -> str:
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return f"Zipf distribution: (p={self.p}, truncation{self.truncation})"
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def is_newick(tree: str):
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# from: https://github.com/ila/Newick-validator/blob/master/Newick_Validator.py
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# dividing the string into tokens, to check them singularly
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tokens = split(r'([A-Za-z]+[^A-Za-z,)]+[A-Za-z]+|[0-9.]*[A-Za-z]+[0-9.]+|[0-9.]+\s+[0-9.]+|[0-9.]+|[A-za-z]+|\(|\)|;|:|,)', tree)
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# removing spaces and empty strings (spaces within labels are still present)
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parsed_tokens = list(filter(lambda x: not (x.isspace() or not x), tokens))
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# checking whether the tree ends with ;
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if parsed_tokens[-1] != ';':
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raise ValueError(f"Tree without ; at the end. Tree received: {tree}")
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return False
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return True
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# TODO, I think should be deleted
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class Block:
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'''
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A single block of event.
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Used to add insertions or deletions.
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'''
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def __init__(self, num1: int, num2: int):
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self.block = _Sailfish.Block(num1, num2)
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class BlockTree:
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'''
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Used to contain the events on a multiple branches (entire tree).
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'''
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def __init__(self, root_length: int):
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self.blockTree = _Sailfish.BlockTree(root_length)
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def print_tree(self) -> str:
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return self.blockTree.print_tree()
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def block_list(self) -> List:
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return self.blockTree.block_list()
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# TODO delete one of this (I think the above if not used)
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class BlockTreePython:
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'''
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Used to contain the events on a multiple branches (entire tree).
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'''
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def __init__(self, branch_block_dict: Dict[str, _Sailfish.Block]):
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self._branch_block_dict = branch_block_dict
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# dictionary of {str: List of blocks}
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self._branch_block_dict_python = {i: x for i, x in branch_block_dict.items()}
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def _get_Sailfish_blocks(self) -> Dict[str, _Sailfish.Block]:
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return self._branch_block_dict
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def get_branches_str(self) -> str:
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return {i: self._branch_block_dict[i].print_tree() for i in list(self._branch_block_dict.keys())}
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def get_specific_branch(self, branch: str) -> str:
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if not branch in self._branch_block_dict_python:
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raise ValueError(f"branch not in the _branch_block, aviable branches are: {list(self._branch_block_dict_python.keys())}")
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return self._branch_block_dict[branch].print_tree()
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def print_branches(self) -> str:
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for i in list(self._branch_block_dict.keys()):
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print(f"branch = {i}")
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print(self._branch_block_dict[i].print_tree())
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def block_list(self) -> List:
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if not branch in self._branch_block_dict_python:
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raise ValueError(f"branch not in the _branch_block, aviable branches are: {list(self._branch_block_dict_python.keys())}")
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return self._branch_block_dict_python[branch]
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class Tree:
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'''
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The tree class for the simulator
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'''
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def __init__(self, input_str: str):
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is_from_file = False
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if os.path.isfile(input_str):
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is_from_file = True
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tree_str = open(input_str, 'r').read()
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else:
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tree_str = input_str
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if not is_newick(tree_str):
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if is_from_file:
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raise ValueError(f"Failed to read tree from file. File path: {input_str}, content: {tree_str}")
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else:
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raise ValueError(f"Failed construct tree from string. String received: {tree_str}")
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self._tree = _Sailfish.Tree(input_str, is_from_file)
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self._tree_str = tree_str
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def get_num_nodes(self) -> int:
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return self._tree.num_nodes
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def get_num_leaves(self) -> int:
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return self._tree.root.num_leaves
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def _get_Sailfish_tree(self) -> _Sailfish.Tree:
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return self._tree
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def __repr__(self) -> str:
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return f"{self._tree_str}"
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class SimProtocol:
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'''
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The simulator protocol, sets the different distribution, tree and root length.
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'''
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def __init__(self, tree = None,
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root_seq_size: int = 100,
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deletion_rate: float = 0.0,
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insertion_rate: float = 0.0,
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deletion_dist: Distribution = ZipfDistribution(1.7, 50),
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insertion_dist: Distribution = ZipfDistribution(1.7, 50),
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seed: int = 0,
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):
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if isinstance(tree, Tree):
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self._tree = tree
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elif isinstance(tree, str):
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self._tree = Tree(tree)
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else:
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raise ValueError(f"please provide one of the following: (1) a newick format of a tree; (2) a path to a file containing a tree; (3) or a tree created by the Tree class")
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self._num_branches = self._tree.get_num_nodes() - 1
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self._sim = _Sailfish.SimProtocol(self._tree._get_Sailfish_tree())
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self.set_seed(seed)
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self.set_sequence_size(root_seq_size)
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self._is_deletion_rate_zero = not deletion_rate
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self._is_insertion_rate_zero = not insertion_rate
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self.set_deletion_rates(deletion_rate=deletion_rate)
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self.set_insertion_rates(insertion_rate=insertion_rate)
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self.set_deletion_length_distributions(deletion_dist=deletion_dist)
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self.set_insertion_length_distributions(insertion_dist=insertion_dist)
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def get_tree(self) -> Tree:
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return self._tree
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def _get_Sailfish_tree(self) -> _Sailfish.Tree:
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return self._tree._get_Sailfish_tree()
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def _get_root(self):
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return self._tree._get_Sailfish_tree().root
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def get_num_branches(self) -> int:
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return self._num_branches
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def set_seed(self, seed: int) -> None:
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self._seed = seed
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self._sim.set_seed(seed)
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def get_seed(self) -> int:
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return self._seed
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def set_sequence_size(self, sequence_size: int) -> None:
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self._sim.set_sequence_size(sequence_size)
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self._root_seq_size = sequence_size
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def get_sequence_size(self) -> int:
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return self._root_seq_size
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def set_insertion_rates(self, insertion_rate: Optional[float] = None, insertion_rates: Optional[List[float]] = None) -> None:
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if insertion_rate is not None:
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self.insertion_rates = [insertion_rate] * self._num_branches
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if insertion_rate:
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self._is_insertion_rate_zero = False
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elif insertion_rates:
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if not len(insertion_rates) == self._num_branches:
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raise ValueError(f"The length of the insertaion rates should be equal to the number of branches in the tree. The insertion_rates length is {len(insertion_rates)} and the number of branches is {self._num_branches}. You can pass a single value as insertion_rate which will be used for all branches.")
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self.insertion_rates = insertion_rates
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for insertion_rate in insertion_rates:
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if insertion_rate:
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self._is_insertion_rate_zero = False
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else:
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raise ValueError(f"please provide one of the following: insertion_rate (a single value used for all branches), or a insertion_rates (a list of values, each corresponding to a different branch)")
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self._sim.set_insertion_rates(self.insertion_rates)
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+
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|
294
|
+
def get_insertion_rate(self, branch_num: int) -> float:
|
|
295
|
+
if branch_num >= self._num_branches:
|
|
296
|
+
raise ValueError(f"The branch number should be between 0 to {self._num_branches} (not included). Received value of {branch_num}")
|
|
297
|
+
return self._sim.get_insertion_rate(branch_num)
|
|
298
|
+
|
|
299
|
+
def get_all_insertion_rates(self) -> Dict:
|
|
300
|
+
return {i: self.get_insertion_rate(i) for i in range(self._num_branches)}
|
|
301
|
+
|
|
302
|
+
def set_deletion_rates(self, deletion_rate: Optional[float] = None, deletion_rates: Optional[List[float]] = None) -> None:
|
|
303
|
+
if deletion_rate is not None:
|
|
304
|
+
self.deletion_rates = [deletion_rate] * self._num_branches
|
|
305
|
+
if deletion_rate:
|
|
306
|
+
self._is_deletion_rate_zero = False
|
|
307
|
+
elif deletion_rates:
|
|
308
|
+
if not len(deletion_rates) == self._num_branches:
|
|
309
|
+
raise ValueError(f"The length of the deletion rates should be equal to the number of branches in the tree. The deletion_rates length is {len(deletion_rates)} and the number of branches is {self._num_branches}. You can pass a single value as deletion_rate which will be used for all branches.")
|
|
310
|
+
self.deletion_rates = deletion_rates
|
|
311
|
+
for deletion_rate in deletion_rates:
|
|
312
|
+
if deletion_rate:
|
|
313
|
+
self._is_deletion_rate_zero = False
|
|
314
|
+
else:
|
|
315
|
+
raise ValueError(f"please provide one of the following: deletion_rate (a single value used for all branches), or a deletion_rates (a list of values, each corresponding to a different branch)")
|
|
316
|
+
|
|
317
|
+
self._sim.set_deletion_rates(self.deletion_rates)
|
|
318
|
+
|
|
319
|
+
def get_deletion_rate(self, branch_num: int) -> float:
|
|
320
|
+
if branch_num >= self._num_branches:
|
|
321
|
+
raise ValueError(f"The branch number should be between 0 to {self._num_branches} (not included). Received value of {branch_num}")
|
|
322
|
+
return self._sim.get_deletion_rate(branch_num)
|
|
323
|
+
|
|
324
|
+
def get_all_deletion_rates(self) -> Dict:
|
|
325
|
+
return {i: self.get_deletion_rate(i) for i in range(self._num_branches)}
|
|
326
|
+
|
|
327
|
+
def set_insertion_length_distributions(self, insertion_dist: Optional[Distribution] = None, insertion_dists: Optional[List[Distribution]] = None) -> None:
|
|
328
|
+
if insertion_dist:
|
|
329
|
+
self.insertion_dists = [insertion_dist] * self._num_branches
|
|
330
|
+
elif insertion_dists:
|
|
331
|
+
if not len(insertion_dists) == self._num_branches:
|
|
332
|
+
raise ValueError(f"The length of the insertion dists should be equal to the number of branches in the tree. The insertion_dists length is {len(insertion_dists)} and the number of branches is {self._num_branches}. You can pass a single value as insertion_dist which will be used for all branches.")
|
|
333
|
+
self.insertion_dists = insertion_dists
|
|
334
|
+
else:
|
|
335
|
+
raise ValueError(f"please provide one of the following: deletion_rate (a single value used for all branches), or a deletion_rates (a list of values, each corresponding to a different branch)")
|
|
336
|
+
|
|
337
|
+
self._sim.set_insertion_length_distributions([dist._get_Sailfish_dist() for dist in self.insertion_dists])
|
|
338
|
+
|
|
339
|
+
def get_insertion_length_distribution(self, branch_num: int) -> Distribution:
|
|
340
|
+
if branch_num >= self._num_branches:
|
|
341
|
+
raise ValueError(f"The branch number should be between 0 to {self._num_branches} (not included). Received value of {branch_num}")
|
|
342
|
+
return self.insertion_dists[branch_num]
|
|
343
|
+
|
|
344
|
+
def get_all_insertion_length_distribution(self) -> Dict:
|
|
345
|
+
return {i: self.get_insertion_length_distribution(i) for i in range(self._num_branches)}
|
|
346
|
+
|
|
347
|
+
def set_deletion_length_distributions(self, deletion_dist: Optional[Distribution] = None, deletion_dists: Optional[List[Distribution]] = None) -> None:
|
|
348
|
+
if deletion_dist:
|
|
349
|
+
self.deletion_dists = [deletion_dist] * self._num_branches
|
|
350
|
+
elif deletion_dists:
|
|
351
|
+
if not len(deletion_dists) == self._num_branches:
|
|
352
|
+
raise ValueError(f"The length of the deletion dists should be equal to the number of branches in the tree. The deletion_dists length is {len(deletion_dists)} and the number of branches is {self._num_branches}. You can pass a single value as deletion_dist which will be used for all branches.")
|
|
353
|
+
self.deletion_dists = deletion_dists
|
|
354
|
+
else:
|
|
355
|
+
raise ValueError(f"please provide one of the following: deletion_rate (a single value used for all branches), or a deletion_rates (a list of values, each corresponding to a different branch)")
|
|
356
|
+
|
|
357
|
+
self._sim.set_deletion_length_distributions([dist._get_Sailfish_dist() for dist in self.deletion_dists])
|
|
358
|
+
|
|
359
|
+
def get_deletion_length_distribution(self, branch_num: int) -> Distribution:
|
|
360
|
+
if branch_num >= self._num_branches:
|
|
361
|
+
raise ValueError(f"The branch number should be between 0 to {self._num_branches} (not included). Received value of {branch_num}")
|
|
362
|
+
return self.deletion_dists[branch_num]
|
|
363
|
+
|
|
364
|
+
def get_all_deletion_length_distribution(self) -> Dict:
|
|
365
|
+
return {i: self.get_deletion_length_distribution(i) for i in range(self._num_branches)}
|
|
366
|
+
|
|
367
|
+
class Msa:
|
|
368
|
+
'''
|
|
369
|
+
The MSA class from the simulator
|
|
370
|
+
'''
|
|
371
|
+
def __init__(self, species_dict: Dict[str, BlockTree], root_node):
|
|
372
|
+
self._msa = _Sailfish.Msa(species_dict, root_node)
|
|
373
|
+
|
|
374
|
+
def generate_msas(self, node):
|
|
375
|
+
self._msa.generate_msas(node)
|
|
376
|
+
|
|
377
|
+
def get_length(self) -> int:
|
|
378
|
+
return self._msa.length()
|
|
379
|
+
|
|
380
|
+
def get_num_sequences(self) -> int:
|
|
381
|
+
return self._msa.num_sequences()
|
|
382
|
+
|
|
383
|
+
def fill_substitutions(self, sequenceContainer) -> None:
|
|
384
|
+
self._msa.fill_substitutions(sequenceContainer)
|
|
385
|
+
|
|
386
|
+
def print_msa(self) -> str:
|
|
387
|
+
return self._msa.print_msa()
|
|
388
|
+
|
|
389
|
+
def print_indels(self) -> str:
|
|
390
|
+
return self._msa.print_indels()
|
|
391
|
+
|
|
392
|
+
def get_msa(self) -> str:
|
|
393
|
+
return self._msa.get_msa()
|
|
394
|
+
|
|
395
|
+
def write_msa(self, file_path) -> None:
|
|
396
|
+
self._msa.write_msa(file_path)
|
|
397
|
+
|
|
398
|
+
#def __repr__(self) -> str:
|
|
399
|
+
# return f"{self.get_msa()}"
|
|
400
|
+
|
|
401
|
+
class Simulator:
|
|
402
|
+
'''
|
|
403
|
+
Simulate MSAs based on SimProtocol
|
|
404
|
+
'''
|
|
405
|
+
def __init__(self, simProtocol: Optional[SimProtocol] = None, simulation_type: Optional[SIMULATION_TYPE] = None):
|
|
406
|
+
if not simProtocol:
|
|
407
|
+
warnings.warn(f"initalized a simulator without simProtocol -> using a default protocol with Tree = '(A:0.01,B:0.5,C:0.03);' and root length of 100")
|
|
408
|
+
# default simulation values
|
|
409
|
+
possion = PoissonDistribution(10, 100)
|
|
410
|
+
simProtocol = SimProtocol(tree="(A:0.01,B:0.5,C:0.03);")
|
|
411
|
+
simProtocol.set_insertion_length_distributions(possion)
|
|
412
|
+
simProtocol.set_deletion_length_distributions(possion)
|
|
413
|
+
simProtocol.set_insertion_rates(0.05)
|
|
414
|
+
simProtocol.set_deletion_rates(0.05)
|
|
415
|
+
simProtocol.set_sequence_size(100)
|
|
416
|
+
# verify sim_protocol
|
|
417
|
+
if self._verify_sim_protocol(simProtocol):
|
|
418
|
+
self._simProtocol = simProtocol
|
|
419
|
+
self._simulator = _Sailfish.Simulator(self._simProtocol._sim)
|
|
420
|
+
else:
|
|
421
|
+
raise ValueError(f"failed to verify simProtocol")
|
|
422
|
+
|
|
423
|
+
if not simulation_type:
|
|
424
|
+
warnings.warn(f"simulation type not provided -> running protein simulation")
|
|
425
|
+
simulation_type = SIMULATION_TYPE.PROTEIN
|
|
426
|
+
|
|
427
|
+
if simulation_type == SIMULATION_TYPE.PROTEIN:
|
|
428
|
+
self._alphabet = _Sailfish.alphabetCode.AMINOACID
|
|
429
|
+
elif simulation_type == SIMULATION_TYPE.DNA:
|
|
430
|
+
self._alphabet = _Sailfish.alphabetCode.NUCLEOTIDE
|
|
431
|
+
else:
|
|
432
|
+
raise ValueError(f"unknown simulation type, please provde one of the following: {[e.name for e in SIMULATION_TYPE]}")
|
|
433
|
+
|
|
434
|
+
self._simulation_type = simulation_type
|
|
435
|
+
self._is_sub_model_init = False
|
|
436
|
+
|
|
437
|
+
def _verify_sim_protocol(self, simProtocol) -> bool:
|
|
438
|
+
if not simProtocol.get_tree():
|
|
439
|
+
raise ValueError(f"protocol miss tree, please provide when initalizing the simProtocol")
|
|
440
|
+
if not simProtocol.get_sequence_size() or simProtocol.get_sequence_size() == 0:
|
|
441
|
+
raise ValueError(f"protocol miss root length, please provide -> simProtocol.set_sequence_size(int)")
|
|
442
|
+
if not simProtocol.get_insertion_length_distribution(0):
|
|
443
|
+
raise ValueError(f"protocol miss insertion length distribution, please provide -> simProtocol.set_insertion_length_distributions(float)")
|
|
444
|
+
if not simProtocol.get_deletion_length_distribution(0):
|
|
445
|
+
raise ValueError(f"protocol miss deletion length distribution, please provide -> simProtocol.set_deletion_length_distributions(float)")
|
|
446
|
+
if simProtocol.get_insertion_rate(0) < 0:
|
|
447
|
+
raise ValueError(f"please provide a non zero value for insertion rate, provided value of: {simProtocol.get_insertion_rate(0)} -> simProtocol.set_insertion_rate(float)")
|
|
448
|
+
if simProtocol.get_deletion_rate(0) < 0:
|
|
449
|
+
raise ValueError(f"please provide a non zero value for deletion rate, provided value of: {simProtocol.get_deletion_rate(0)} -> simProtocol.set_deletion_rate(float)")
|
|
450
|
+
return True
|
|
451
|
+
|
|
452
|
+
def reset_sim(self):
|
|
453
|
+
# TODO, complete
|
|
454
|
+
pass
|
|
455
|
+
|
|
456
|
+
def _init_sub_model(self) -> None:
|
|
457
|
+
self._model_factory = _Sailfish.modelFactory(self._simProtocol._get_Sailfish_tree())
|
|
458
|
+
self._model_factory.set_alphabet(self._alphabet)
|
|
459
|
+
if self._simulation_type == SIMULATION_TYPE.PROTEIN:
|
|
460
|
+
warnings.warn(f"replacement matrix not provided -> running with default parameters: WAG model")
|
|
461
|
+
self._model_factory.set_replacement_model(_Sailfish.modelCode.WAG)
|
|
462
|
+
else:
|
|
463
|
+
warnings.warn(f"replacement matrix not provided -> running with default parameters: JC model")
|
|
464
|
+
self._model_factory.set_replacement_model(_Sailfish.modelCode.NUCJC)
|
|
465
|
+
self._model_factory.set_gamma_parameters(1.0, 1)
|
|
466
|
+
|
|
467
|
+
self._simulator.init_substitution_sim(self._model_factory)
|
|
468
|
+
self._is_sub_model_init = True
|
|
469
|
+
|
|
470
|
+
def set_replacement_model(
|
|
471
|
+
self,
|
|
472
|
+
model: _Sailfish.modelCode,
|
|
473
|
+
model_parameters: List = None,
|
|
474
|
+
gamma_parameters_alpha : float = 1.0,
|
|
475
|
+
gamma_parameters_catergories: int = 1
|
|
476
|
+
) -> None:
|
|
477
|
+
if not model:
|
|
478
|
+
raise ValueError(f"please provide a substitution model from the the following list: {_Sailfish.modelCode}")
|
|
479
|
+
if int(gamma_parameters_catergories) != gamma_parameters_catergories:
|
|
480
|
+
raise ValueError(f"gamma_parameters_catergories has to be a positive int value: received value of {gamma_parameters_catergories}")
|
|
481
|
+
self._model_factory = _Sailfish.modelFactory(self._simProtocol._get_Sailfish_tree())
|
|
482
|
+
|
|
483
|
+
self._model_factory.set_alphabet(self._alphabet)
|
|
484
|
+
if self._simulation_type == SIMULATION_TYPE.PROTEIN:
|
|
485
|
+
if model_parameters:
|
|
486
|
+
raise ValueError(f"no model parameters are used in protein, recevied value of: {model_parameters}")
|
|
487
|
+
self._model_factory.set_replacement_model(model)
|
|
488
|
+
else:
|
|
489
|
+
if model == MODEL_CODES.NUCJC and model_parameters:
|
|
490
|
+
raise ValueError(f"no model parameters in JC model, recevied value of: {model_parameters}")
|
|
491
|
+
self._model_factory.set_replacement_model(model)
|
|
492
|
+
if model == MODEL_CODES.NUCJC and not model_parameters:
|
|
493
|
+
pass
|
|
494
|
+
elif not model_parameters:
|
|
495
|
+
raise ValueError(f"please provide a model parameters")
|
|
496
|
+
else:
|
|
497
|
+
self._model_factory.set_model_parameters(model_parameters)
|
|
498
|
+
|
|
499
|
+
self._model_factory.set_gamma_parameters(gamma_parameters_alpha, gamma_parameters_catergories)
|
|
500
|
+
self._simulator.init_substitution_sim(self._model_factory)
|
|
501
|
+
|
|
502
|
+
self._is_sub_model_init = True
|
|
503
|
+
|
|
504
|
+
def gen_indels(self) -> BlockTreePython:
|
|
505
|
+
return BlockTreePython(self._simulator.gen_indels())
|
|
506
|
+
|
|
507
|
+
|
|
508
|
+
def gen_substitutions(self, length: int):
|
|
509
|
+
if not self._is_sub_model_init:
|
|
510
|
+
self._init_sub_model()
|
|
511
|
+
return self._simulator.gen_substitutions(length)
|
|
512
|
+
|
|
513
|
+
# @profile
|
|
514
|
+
def simulate(self, times: int = 1) -> List[Msa]:
|
|
515
|
+
Msas = []
|
|
516
|
+
for _ in range(times):
|
|
517
|
+
if self._simProtocol._is_insertion_rate_zero and self._simProtocol._is_deletion_rate_zero:
|
|
518
|
+
msa = Msa(self._simProtocol.get_tree().get_num_leaves(), self._simProtocol.get_sequence_size())
|
|
519
|
+
else:
|
|
520
|
+
blocktree = self.gen_indels()
|
|
521
|
+
msa = Msa(blocktree._get_Sailfish_blocks(), self._simProtocol._get_root())
|
|
522
|
+
|
|
523
|
+
# sim.init_substitution_sim(mFac)
|
|
524
|
+
substitutions = self.gen_substitutions(msa.get_length())
|
|
525
|
+
msa.fill_substitutions(substitutions)
|
|
526
|
+
|
|
527
|
+
Msas.append(msa)
|
|
528
|
+
return Msas
|
|
529
|
+
|
|
530
|
+
def __call__(self) -> Msa:
|
|
531
|
+
return self.simulate(1)[0]
|
|
532
|
+
|
|
533
|
+
def save_rates(self, is_save: bool) -> None:
|
|
534
|
+
self._simulator.save_site_rates(is_save)
|
|
535
|
+
|
|
536
|
+
def get_rates(self) -> List[float]:
|
|
537
|
+
return self._simulator.get_site_rates()
|
|
Binary file
|
|
@@ -0,0 +1,172 @@
|
|
|
1
|
+
Academic Free License ("AFL") v. 3.0
|
|
2
|
+
|
|
3
|
+
This Academic Free License (the "License") applies to any original work of
|
|
4
|
+
authorship (the "Original Work") whose owner (the "Licensor") has placed the
|
|
5
|
+
following licensing notice adjacent to the copyright notice for the Original
|
|
6
|
+
Work:
|
|
7
|
+
|
|
8
|
+
Licensed under the Academic Free License version 3.0
|
|
9
|
+
|
|
10
|
+
1) Grant of Copyright License. Licensor grants You a worldwide, royalty-free,
|
|
11
|
+
non-exclusive, sublicensable license, for the duration of the copyright, to do
|
|
12
|
+
the following:
|
|
13
|
+
|
|
14
|
+
a) to reproduce the Original Work in copies, either alone or as part of a
|
|
15
|
+
collective work;
|
|
16
|
+
|
|
17
|
+
b) to translate, adapt, alter, transform, modify, or arrange the Original
|
|
18
|
+
Work, thereby creating derivative works ("Derivative Works") based upon the
|
|
19
|
+
Original Work;
|
|
20
|
+
|
|
21
|
+
c) to distribute or communicate copies of the Original Work and Derivative
|
|
22
|
+
Works to the public, under any license of your choice that does not
|
|
23
|
+
contradict the terms and conditions, including Licensor's reserved rights
|
|
24
|
+
and remedies, in this Academic Free License;
|
|
25
|
+
|
|
26
|
+
d) to perform the Original Work publicly; and
|
|
27
|
+
|
|
28
|
+
e) to display the Original Work publicly.
|
|
29
|
+
|
|
30
|
+
2) Grant of Patent License. Licensor grants You a worldwide, royalty-free,
|
|
31
|
+
non-exclusive, sublicensable license, under patent claims owned or controlled
|
|
32
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Metadata-Version: 2.1
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Name: msasim
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Version: 2024.5.22
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Summary: A fast MSA simulator
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Home-page: https://github.com/elyawy/Sailfish-backend
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Author: Elya Wygoda
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Requires-Dist: pytest ; extra == 'test'
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Sailfish is a performant multiple sequence alignment simulator, written in C++, allowing fast generation of large simualted datasets.
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