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Add table display for link graph #276

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Sep 17, 2024
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1 change: 1 addition & 0 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -40,6 +40,7 @@ dependencies = [
"rich",
"scipy",
"sortedcontainers",
"tabulate",
]

[project.optional-dependencies]
Expand Down
51 changes: 48 additions & 3 deletions src/nplinker/scoring/link_graph.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@
from functools import wraps
from typing import Union
from networkx import Graph
from tabulate import tabulate
from nplinker.genomics import GCF
from nplinker.metabolomics import MolecularFamily
from nplinker.metabolomics import Spectrum
Expand Down Expand Up @@ -73,9 +74,20 @@ def __init__(self) -> None:
Create a LinkGraph object:
>>> lg = LinkGraph()

Display the empty LinkGraph object:
>>> lg
| | Object 1 | Object 2 | Metcalf Score | Rosetta Score |
|----|------------|------------|-----------------|-----------------|

Add a link between a GCF and a Spectrum object:
>>> lg.add_link(gcf, spectrum, metcalf=Score("metcalf", 1.0, {"cutoff": 0.5}))

Display all links in LinkGraph object:
>>> lg
| | Object 1 | Object 2 | Metcalf Score | Rosetta Score |
|----|--------------|------------------------|-----------------|-----------------|
| 1 | GCF(id=gcf1) | Spectrum(id=spectrum1) | 1 | - |

Get all links for a given object:
>>> lg[gcf]
{spectrum: {"metcalf": Score("metcalf", 1.0, {"cutoff": 0.5})}}
Expand All @@ -94,9 +106,9 @@ def __init__(self) -> None:
"""
self._g: Graph = Graph()

def __str__(self) -> str:
"""Get a short summary of the LinkGraph."""
return f"{self.__class__.__name__}(#links={len(self.links)}, #objects={len(self)})"
def __repr__(self) -> str:
"""Return a string representation of the LinkGraph."""
return self._get_table_repr()

def __len__(self) -> int:
"""Get the number of objects."""
Expand Down Expand Up @@ -272,3 +284,36 @@ def _filter_two_nodes(self, u: Entity, v: Entity, lg: LinkGraph) -> None:
link_data = self.get_link_data(u, v)
if link_data is not None:
lg.add_link(u, v, **link_data)

def _get_table_repr(self) -> str:
"""Generate a table representation of the LinkGraph.

The table is truncated to 60 links.
"""
headers = ["", "Object 1", "Object 2", "Metcalf Score", "Rosetta Score"]
table_data = []
display_limit = 60

for index, (u, v, data) in enumerate(self.links, start=1):
metcalf_score = data.get("metcalf")
rosetta_score = data.get("rosetta")

row = [
index,
str(u if isinstance(u, GCF) else v),
str(v if isinstance(u, GCF) else u),
f"{metcalf_score.value:.2f}" if metcalf_score else "-",
f"{rosetta_score.value:.2f}" if rosetta_score else "-",
]
table_data.append(row)

if index == display_limit:
break

table = tabulate(table_data, headers=headers, tablefmt="github", stralign="right")

if len(self.links) > display_limit:
truncated_info = f"...\n[ {len(self.links)} links ]"
return f"{table}\n{truncated_info}"

return table
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