class Pair:
def __init__(self, receptordb, liganddb):
self.ligand = Ligand(liganddb)
self.receptor = Receptor(receptordb)
def foreachPair(self, pid, sink):
self.ligand.foreachId(lambda cid: sink(pid, cid))
def foreach(self, sink, criteria=''):
self.receptor.foreachId(lambda pid: self.foreachPair(pid, sink))
def size(self, rcriteria='1=1', lcriteria='1=1'):
ligands = self.ligand.size(lcriteria)
receptors = self.receptor.size(rcriteria)
return ligands * receptors
def close(self):
self.ligand.close()
self.receptor.close()
import os
from parameter import Parameter
from ligand import Ligand
from receptor import Receptor
from path import Path
def print_pairs(pid, ligand):
ligand.foreachId(lambda cid: print(pid, cid, sep='\t'))
p = Parameter()
pt = Path(p)
ligand = Ligand(pt.data + p._('project.wizard.ligand.db'))
receptor = Receptor(pt.data + p._('project.wizard.receptor.db'))
receptor.foreachId(lambda id: print_pairs(id, ligand))
ligand.close()
receptor.close()
import os
from parameter import Parameter
from ligand import Ligand
p = Parameter()
dir = p._('project.dir') + '/'
project_dir = dir + p._('project.wizard.create.name') + '/'
data_dir = project_dir + 'data/'
molecule = Ligand(data_dir + p._('project.wizard.ligand.db'))
columns = p._('project.wizard.ligand_report.columns')
molecule.foreachRecord(columns, lambda id, fields: print(id, fields, sep='\t'))
molecule.close()