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#--------------------------------------------------------------------------
# This file is part of BKchem - a chemical drawing program
# Copyright (C) 2002-2004 Beda Kosata <beda@zirael.org>
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
# Complete text of GNU GPL can be found in the file gpl.txt in the
# main directory of the program
#--------------------------------------------------------------------------
#
#
#
#--------------------------------------------------------------------------
"""template manager resides here"""
import math
from oasa.oasa.transform import transform
from molecule import molecule
import xml.dom.minidom as dom
from warnings import warn
import config
import os.path
import os_support
import xml.sax
import misc
from singleton_store import Store, Screen
class template_manager:
templates = []
def __init__( self):
self.templates = []
self._prepared_templates = []
def add_template_from_CDML( self, file):
if not os.path.isfile( file):
file = os_support.get_path( file, "template")
if not file:
warn( "template file %s does not exist - ignoring" % file)
return
try:
doc = dom.parse( file).getElementsByTagName( 'cdml')[0]
except xml.sax.SAXException:
warn( "template file %s cannot be parsed - ignoring" % file)
return
# when loading old versions of CDML try to convert them, but do nothing when they cannot be converted
import CDML_versions
CDML_versions.transform_dom_to_version( doc, config.current_CDML_version)
Store.app.paper.onread_id_sandbox_activate()
added = []
for tmp in doc.getElementsByTagName('molecule'):
self.templates.append( tmp)
m = molecule( Store.app.paper, package=tmp)
self._prepared_templates.append( m)
added.append( m)
Store.app.paper.onread_id_sandbox_finish( apply_to=[]) # just switch the id_managers, no id mangling
def get_template( self, n):
return self.templates[n]
def get_templates_valency( self, name):
return self._prepared_templates[ name].next_to_t_atom.occupied_valency -1
def get_template_names( self):
return [o.name for o in self._prepared_templates]
def get_transformed_template( self, n, coords, type='empty', paper=None):
"""type is type of connection - 'bond', 'atom1'(for single atom), 'atom2'(for atom with more than 1 bond), 'empty'"""
pap = paper or Store.app.paper
pap.onread_id_sandbox_activate() # must be here to mangle the ids
current = molecule( pap, package=self.templates[n])
pap.onread_id_sandbox_finish( apply_to= [current]) # id mangling
current.name = ''
self._scale_ratio = 1
trans = transform()
# type empty - just draws the template - no conection
if type == 'empty':
xt1, yt1 = current.t_atom.get_xy()
xt2, yt2 = current.next_to_t_atom.get_xy()
x1, y1 = coords
bond_length = Screen.any_to_px( Store.app.paper.standard.bond_length)
current.delete_items( [current.t_atom], redraw=0, delete_single_atom=0)
trans.set_move( -xt2, -yt2)
trans.set_scaling( bond_length / math.sqrt( (xt1-xt2)**2 + (yt1-yt2)**2))
trans.set_move( x1, y1)
#type atom
elif type == 'atom1' or type == 'atom2':
xt1, yt1 = current.t_atom.get_xy()
xt2, yt2 = current.next_to_t_atom.get_xy()
x1, y1, x2, y2 = coords
trans.set_move( -xt2, -yt2)
trans.set_scaling( math.sqrt( (x1-x2)**2 + (y1-y2)**2) / math.sqrt( (xt1-xt2)**2 + (yt1-yt2)**2))
trans.set_rotation( math.atan2( xt1-xt2, yt1-yt2) - math.atan2( x1-x2, y1-y2))
trans.set_move( x2, y2)
#type bond
elif type == 'bond':
if not (current.t_bond_first and current.t_bond_second):
warn( "this template is not capable to be added to bond - sorry.")
return None
current.delete_items( [current.t_atom], redraw=0, delete_single_atom=0)
xt1, yt1 = current.t_bond_first.get_xy()
xt2, yt2 = current.t_bond_second.get_xy()
x1, y1, x2, y2 = coords
self._scale_ratio = math.sqrt( (x1-x2)**2 + (y1-y2)**2) / math.sqrt( (xt1-xt2)**2 + (yt1-yt2)**2) # further needed for bond.bond_width transformation
trans.set_move( -xt1, -yt1)
trans.set_rotation( math.atan2( xt1-xt2, yt1-yt2) - math.atan2( x1-x2, y1-y2))
trans.set_scaling( self._scale_ratio)
trans.set_move( x1, y1)
self.transform_template( current, trans)
#remove obsolete info from template
if type == 'atom1':
current.delete_items( [current.t_atom], redraw=0, delete_single_atom=0)
elif type == 'atom2':
current.t_atom.x = x1
current.t_atom.y = y1
current.t_atom = None
current.t_bond_first = None
current.t_bond_second = None
#return ready template
return current
def transform_template( self, temp, trans):
for a in temp.atoms:
a.x, a.y = trans.transform_xy( a.x, a.y)
a.scale_font( self._scale_ratio)
for b in temp.bonds:
if b.order != 1:
b.bond_width *= self._scale_ratio
# update template according to current default values
Store.app.paper.apply_current_standard( [temp], template_mode=1)
# return the ready template
return temp
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