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SimpleComplex2.py
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889 lines (840 loc) · 32.9 KB
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import math
import random
##import CirclePack
## Modified version of SimpleComplex that includes distance from center
## metric so that the Complex is evenly expanded from exterior nodes
DimX = 9
DimY = 9
global VARIANCE
VARIANCE = .5
ComplexSize = 50 ## number of Base Complexes to form a composite Union
MaxBaseSize = 6 ## Max n-Gon size
CenterBase = 6 ## The median Base Complex for a Random Base Complex generation
## set. Should always be less than or equal to MaxBaseSize.
## 3 <= CenterBase <= MaxBaseSize where CenterBase is an int.
BVariance = 0.0 ## values range from 0 to 1.0 (full) This means the
## a standard deviation from Center Base for all possible
## Base Complexes in a given random Base Complex set.
## Computing the Random Base Complex Set
dev1 = MaxBaseSize - CenterBase
dev2 = CenterBase - 4
dev = min(dev1,dev2)
dev *= BVariance
dev = int(dev) ## floored no roundup
RandomBase = list(range(CenterBase-dev,CenterBase+dev+1))
interior = {}
exterior = {}
c = 0
verttoc = {}
for i in range(DimX):
for j in range(DimY):
verttoc[(i,j)] = c
c += 1
t9 = DimX % 3 == 0
t10 = DimY % 3 == 0
for i in range(DimX):
for j in range(DimY):
t1 = i == 0 or i == DimX-1
t2 = j == 0 or j == DimY-1
if t1 or t2:
c = verttoc[(i,j)]
if i == 0 and j == 0 or i == DimX-1 and j == DimY-1:
exterior[c] = .05
else:
exterior[c] = .1*random.random()
else:
t3 = i == DimX-2
t4 = i == 1
t5 = j == DimY-2
t6 = j == 1
t7 = i % 2 != 0
t8 = j % 2 != 0
c = verttoc[(i,j)]
n = verttoc[(i,j+1)]
ne = verttoc[(i+1,j+1)]
nw = verttoc[(i-1,j+1)]
e = verttoc[(i+1,j)]
w = verttoc[(i-1,j)]
s = verttoc[(i,j-1)]
se = verttoc[(i+1,j-1)]
sw = verttoc[(i-1,j-1)]
##interior[c] = [n,ne,e,se,s,sw,w,nw]
if t4 and t6:
interior[c] = [n,ne,e,se,s,sw,w,nw]
else:
if t9 and t10:
if t7 and t8:
interior[c] = [n,ne,e,se,s,sw,w,nw]
elif not t7 and t8:
interior[c] = [n,e,s,w]
elif t7 and not t8:
interior[c] = [n,e,s,w]
elif not t7 and not t8:
interior[c] = [n,ne,e,se,s,sw,w,nw]
elif not t9 and t10:
if t7 and t8:
interior[c] = [n,ne,e,se,s,sw,w,nw]
elif t7 and not t8:
if t3:
interior[c] = [n,ne,e,se,s,w]
else:
interior[c] = [n,e,s,w]
elif not t7 and t8:
##even column odd row
if t3:
interior[c] = [n,ne,e,se,s,w]
else:
interior[c] = [n,e,s,w]
## interior[c] = [n,e,s,sw,w,nw]
## To define a convex versus non convex node to node relation
## That is important since a non convex node to node relation
## indicate where polyhedra (of the same type order) should have
## different bond configurations relative to convex types.
## What this means is that an outwardly convex node to node
## type means that even bond orders are (e.g., a double bond) would
## not have a odd 3 bond relation. For instance, consider
## a double bond hex complex. Now there are precisely two points in such
## complex where a single or double bond means that we should have
## a triple bond configuration and not a double bond. These are
## the non convex node positions in the complex, or inter primitive
## complex positions. If we track for a given complex its structure
## in terms of primitives (that is, a base complex that is smaller
## and fundamental to such structure), then we can discern the bond
## bond order type.
## An inter primitives bond order node has a reserved identifier 0.
def ngonc(interior,exterior,olabel, ident,size):
olabel[1] = {'type':'i'}
olabel[1]['identifier'] = ident
## interior[1] = [2,3,4,5,6]
interior[1] = list(range(2,size+1))
olabel[1]['neighbors'] = list(range(2,size+1))
varshift = 1.0-VARIANCE
for i in range(2,size+1):
rvar = VARIANCE*random.random()
exterior[i] = varshift+rvar
olabel[i] = {'type':'e'}
if i == 2:
olabel[i]['neighbors'] = [3,1,size]
elif i == size:
olabel[i]['neighbors'] = [2,1,size-1]
else:
olabel[i]['neighbors'] = [i+1,1,i-1]
olabel[i]['identifier'] = ident
def pentc(interior,exterior,olabel,ident):
olabel[1] = {'type':'i'}
olabel[1]['identifier'] = ident
interior[1] = [2,3,4,5,6]
olabel[1]['neighbors'] = [2,3,4,5,6]
varshift = 1.0-VARIANCE
for i in range(2,7):
rvar = VARIANCE*random.random()
exterior[i] = varshift+rvar
olabel[i] = {'type':'e'}
if i == 2:
olabel[i]['neighbors'] = [3,1,6]
elif i == 6:
olabel[i]['neighbors'] = [2,1,5]
else:
olabel[i]['neighbors'] = [i+1,1,i-1]
olabel[i]['identifier'] = ident
def hexc(interior,exterior,olabel,ident):
olabel[1] = {'type':'i'}
olabel[1]['identifier'] = ident
interior[1] = [2,3,4,5,6,7]
olabel[1]['neighbors'] = [2,3,4,5,6,7]
varshift = 1.0-VARIANCE
for i in range(2,8):
rvar = VARIANCE*random.random()
exterior[i] = varshift+rvar
olabel[i] = {'type':'e'}
if i == 2:
olabel[i]['neighbors'] = [3,1,7]
elif i == 7:
olabel[i]['neighbors'] = [2,1,6]
else:
olabel[i]['neighbors'] = [i+1,1,i-1]
olabel[i]['identifier'] = ident
def hex2c(interior,exterior,olabel, ident):
for i in range(1,4):
olabel[i] = {'type':'i'}
olabel[i]['identifier'] = ident
interior[1] =[4,5,2,6,7,8]
olabel[1]['neighbors'] = [4,5,2,6,7,8]
interior[2] =[5,9,3,13,6,1]
olabel[2]['neighbors'] = [5,9,3,13,6,1]
interior[3] =[9,10,11,12,13,3]
olabel[3]['neighbors'] = [9,10,11,12,13,3]
varshift = 1.0-VARIANCE
for i in range(4,14):
rvar = VARIANCE*random.random()
exterior[i] = varshift+rvar
olabel[i] = {'type':'e'}
olabel[i]['identifier'] = ident
olabel[4]['neighbors'] = [5,1,8]
olabel[5]['neighbors'] = [9,2,1,4]
olabel[6]['neighbors'] = [7,1,2,13]
olabel[7]['neighbors'] = [8,1,6]
olabel[8]['neighbors'] = [4,1,7]
olabel[9]['neighbors'] = [10,3,2,5]
olabel[10]['neighbors'] = [11,3,9]
olabel[11]['neighbors'] = [12,3,10]
olabel[12]['neighbors'] = [13,3,11]
olabel[13]['neighbors'] = [6,2,3,12]
def hexshiftplabel(interior, exterior,olabel):
cinterior = {}
cexterior = {}
colabel = {}
olen = len(olabel)
olist = list(olabel.keys())
olist.sort()
for i in range(0,3):
colabel[olist[i]+olen] = olabel[olist[i]].copy()
for i in range(3,13):
colabel[olist[i]+olen] = olabel[olist[i]].copy()
## for o in olist:
## if olabel[o]['type'] == 'e':
## cexterior[o] = .1
## else:
## cycle = []
## for cval in interior[o-olen]:
## cycle.append(cval+olen)
## cinterior[o] = cycle
## adjust colabel neighbor indexing
for o in colabel:
cycle = []
for n in colabel[o]['neighbors']:
n+=olen
cycle.append(n)
colabel[o]['neighbors'] = cycle
for o in colabel:
if colabel[o]['type'] == 'e':
cexterior[o] = exterior[o-olen]
else:
neighs = colabel[o]['neighbors']
cinterior[o] = neighs[0:len(neighs)]
return cinterior,cexterior,colabel
## abstracted plabel shift process
def shiftplabel(interior, exterior,olabel, index = None):
cinterior = {}
cexterior = {}
colabel = {}
olen = None
if index == None:
olen = len(olabel)
else:
olen = index
olist = list(olabel.keys())
olist.sort()
##
if index == None:
for i in range(olen):
colabel[olist[i]+olen] = olabel[olist[i]].copy()
else:
for i in range(len(olist)):
colabel[olist[i]+olen] = olabel[olist[i]].copy()
## adjust colabel neighbor indexing
for o in colabel:
cycle = []
for n in colabel[o]['neighbors']:
n+=olen
cycle.append(n)
colabel[o]['neighbors'] = cycle
for o in colabel:
if colabel[o]['type'] == 'e':
cexterior[o] = exterior[o-olen]
else:
neighs = colabel[o]['neighbors']
cinterior[o] = neighs[0:len(neighs)]
return cinterior,cexterior,colabel
## ******INTERNAL****************
def checkcyclewalk(index, label):
## true if complete cycle false if not complete
neighbors = label[index]['neighbors']
start = neighbors[0]
end = neighbors[len(neighbors)-1]
if start in label[end]['neighbors']:
return True
else:
return False
## *****************************
##def order
## ******INTERNAL****************
def getnnode(node, nnode, olabel):
neighbors = olabel[node]['neighbors']
if nnode == neighbors[0]:
return neighbors[-1]
else:
return neighbors[0]
def exteriorcheck(node,olabel):
if olabel[node]['type'] == 'e':
return True
else:
return False
def getrandomexterior(exterior):
p1ekeys = list(exterior.keys())
p1ekeysn = len(p1ekeys)-1
posi = random.randint(0,p1ekeysn)
return p1ekeys[posi]
def extintconvpass(exterior,interior,olabel):
exteriorkeys = list(exterior.keys())
for node in exteriorkeys:
n1 = olabel[node]['neighbors'][0]
n2 = olabel[node]['neighbors'][-1]
t1 = exteriorcheck(n1,olabel)
t2 = exteriorcheck(n2,olabel)
if not t1 and not t2:
olabel[node]['type'] = 'i'
del exterior[node]
interior[node] = olabel[node]['neighbors']
def zeronodecheck(node,olabel):
if olabel[node]['identifier'] == 0:
return True
else:
return False
def updatexteriordist(extdistpack,dist,ext):
extdist,extdistr = extdistpack
if dist in extdist:
extdist[dist].append(ext)
else:
extdist[dist] = [ext]
extdistr[ext] = dist
## extdistpack = (extdist,extdistr)
def removexteriordist(extdistpack,dist,ext):
extdist,extdistr = extdistpack
if dist in extdist:
exts = extdist[dist]
if ext in exts:
exts.remove(ext)
extdist[dist] = exts
if len(extdist[dist])==0:
del extdist[dist]
if ext in extdistr:
del extdistr[ext]
## extdistpack = (extdist,extdistr)
def getminext(extdist):
dists = list(extdist.keys())
dists.sort()
mindist = dists[0]
return (mindist,extdist[mindist])
def getminextdict(minexts,exterior):
extdict = {}
for minext in minexts:
extdict[minext] = exterior[minext]
return extdict
## ****************************
def connect(pack1,pack2,igroup, border = None, extdistpack = None):
interior1,exterior1,olabel1 = pack1
interior2,exterior2,olabel2 = pack2
extdist,extdistr = extdistpack
# igroup is an index correspondence for interpack connections
## igroup is mapped from pack1 to pack2
## we check pack1 connectors, connections are combined and connections
## are reindexed to pack1 connectors, i.e., pack2 connectors are dropped.
## defintion of interior point. An interior point is formed by a complete
## cycle, that is, where all points of the cycle are directly
## interconnected. Exterior points are formed by incomplete cycles, or
## non closed sub arcs.
## rebuild cycles on pack1. Assumed that when checking a cycle,
## that all intermediate points in the cycle are interconnected.
igvalues = list(igroup.values())
igrouprev = {}
dists = []
for i in igroup:
igrouprev[igroup[i]] = i
## get distances to pack2 interior center node
dists.append(extdistr[i])
## find minimum distance on dists set this indicates distance
## indexing on the newly added complex set. Since
## a triple bond yields all points being +1 from center or
## +0 or -1 from center.
cdist = min(dists) + 1
## now add pack2 nodes (except connectors), need also update labels
remove2 = []
appendict = {}
appendictrev = []
for i in border:
## check for triple bond non zero center node
## That is only where center node is shared all other nodes
## in such bond are independent. Important to check this
## since a triple bond non zero center node leads to
## special appending or inserting of nodes in such bonding
## from pack1 to pack2. Usually for all other bonds we
## transfer pack2 to pack1 or append insert nodes from
## pack2 to pack1 but not to nodes specifically in pack2 from pack1
if len(border[i]) == 3:
bl,bc,br = border[i]
if olabel1[i]['identifier'] != 0:
appendict[igroup[bl]] = None
appendict[igroup[br]] = None
appendictrev += [bl,br]
for i in igroup:
appen = None
remove = []
if border == None:
for n in olabel2[igroup[i]]['neighbors']:
if n in igvalues:
if appen == None:
##print('i from igroup: ', i)
##print('olabel1[i]neighbors: ', olabel1[i]['neighbors'])
if olabel1[i]['neighbors'].index(igrouprev[n]) == 0:
appen = False
else:
appen = True
remove.append(n)
else:
bset = border[i] ## bond set
if len(bset) == 3:
## triple bond i is always center
## technically either append or insert fine
appen = True
## check that primary bond node i isn't a base zero order bond
## if it is then we remove neighbor 2 nodes on the bset
## else we don't...that is a distinction between the triple
## bond set. When it is a triple bond formed on the a non
## inter composite complex node, then the neighboring nodes
## are not shared to common nodes for the triple bond.
## When the are foremd on a inter composite complex node, then
## they are shared. For example, A triple bond formed
## with only one shared node (the center of the triple) versus
## a triple bond with all three nodes in the bond shared.
bl,bc,br = bset
if olabel1[i]['identifier'] == 0:
if not igroup[bl] in remove2:
remove2.append(igroup[bl])
if not igroup[br] in remove2:
remove2.append(igroup[br])
if not igroup[bc] in remove2:
remove2.append(igroup[bc])
else:
if not igroup[bc] in remove2:
remove2.append(igroup[bc])
else:
bl,br = bset
if br == i:
appen = True
else:
appen = False
t2 = igroup[bl] in appendict
t3 = igroup[br] in appendict
if not igroup[bl] in remove2 and not t2:
remove2.append(igroup[bl])
if not igroup[br] in remove2 and not t3:
remove2.append(igroup[br])
if igroup[bl] in appendict:
appendict[igroup[bl]] = not appen
if igroup[br] in appendict:
appendict[igroup[br]] = not appen
for i in olabel2:
rdict = {}
update = []
if not i in remove2: ## originally igvalues:
rdict['type'] = olabel2[i]['type']
cycle = olabel2[i]['neighbors']
cyclec = cycle[0:len(cycle)]
## for j in igvalues:
## if j in cyclec:
for j in remove2:
if j in cyclec:
jindex = cyclec.index(j)
## ##print('cyclec: ', cyclec)
## ##print(type(cyclec))
cyclec[jindex] = igrouprev[j]
if i in appendict:
if appendict[i]:
cyclec.append(igrouprev[i])
else:
ncyclec = [igrouprev[i]]
ncyclec += cyclec
cyclec = ncyclec
## connecting node distance center dist for this
## type 3 bond
updatexteriordist(extdistpack,cdist,i)
else:
if olabel2[i]['type'] == 'e':
updatexteriordist(extdistpack,cdist+1,i)
rdict['neighbors'] = cyclec
rdict['identifier'] = olabel2[i]['identifier']
olabel1[i] = rdict
update.append(i)
if olabel2[i]['type'] == 'e':
exterior1[i] = exterior2[i]
else:
interior1[i] = olabel1[i]['neighbors']
for i in igroup:
appen = None
remove = []
if border == None:
for n in olabel2[igroup[i]]['neighbors']:
if n in igvalues:
if appen == None:
##print('i from igroup: ', i)
##print('olabel1[i]neighbors: ', olabel1[i]['neighbors'])
if olabel1[i]['neighbors'].index(igrouprev[n]) == 0:
appen = False
else:
appen = True
remove.append(n)
else:
bset = border[i] ## bond set
if len(bset) == 3:
## triple bond i is always center
## technically either append or insert fine
appen = True
## check that primary bond node i isn't a base zero order bond
## if it is then we remove neighbor 2 nodes on the bset
## else we don't...that is a distinction between the triple
## bond set. When it is a triple bond formed on the a non
## inter composite complex node, then the neighboring nodes
## are not shared to common nodes for the triple bond.
## When the are foremd on a inter composite complex node, then
## they are shared. For example, A triple bond formed
## with only one shared node (the center of the triple) versus
## a triple bond with all three nodes in the bond shared.
bl,bc,br = bset
if olabel1[i]['identifier'] == 0:
remove.append(igroup[bl])
remove.append(igroup[br])
remove.append(igroup[bc])
else:
remove.append(igroup[bc])
else:
bl,br = bset
if br == i:
appen = True
else:
appen = False
remove.append(igroup[bl])
remove.append(igroup[br])
n2list = olabel2[igroup[i]]['neighbors']
n2listc = n2list[0:len(n2list)]
for r in remove2:
if r in n2listc:
##print('n2listc (prior to r removal): ', n2listc)
n2listc.remove(r)
##print('n2listc (after r removal): ', n2listc)
##print('igroup i: ', i)
##print('appendict: ', appendict)
if appen:
## distinction is needed here for shared versus non shared nodes
## in the special triple bond case (mentioned above)
if i in appendictrev:
olabel1[i]['neighbors'] += [igroup[i]]
else:
olabel1[i]['neighbors']+= n2listc
else:
if i in appendictrev:
ncycle = [igroup[i]]
ncycle += olabel1[i]['neighbors']
olabel1[i]['neighbors'] = ncycle
else:
n2listc += olabel1[i]['neighbors']
olabel1[i]['neighbors'] = n2listc
##print(remove2)
## check for complete cycles
if checkcyclewalk(i, olabel1):
interior1[i]= olabel1[i]['neighbors']
##print('complete cycle')
##print(olabel1[i]['type'])
##print(i)
olabel1[i]['type'] = 'i'
del exterior1[i]
rdist = extdistr[i]
removexteriordist(extdistpack,rdist,i)
else:
olabel1[i]['identifier'] = 0
igroupkeys = list(igroup.keys())
## now update pack1 exterior and interior dicts
for i in update:
if olabel1[i]['type'] == 'e':
exterior1[i] = exterior2[i]
else:
interior1[i] = olabel1[i]['neighbors']
## a final pass on the exterior nodes to account for nodes
## that are isolated (between interior nodes) but are also
## classified exterior. These are converted to interior nodes
##extintconvpass(exterior1,interior1,olabel1)
## test build 2 triple bond hex, shift the labels of one set, and then
## connect on a node boundary appropriately
## build random connections but need a test to confirm bond type
def getrandomexteriors(pack1,pack2,extdist):
interior1,exterior1,olabel1 = pack1
interior2,exterior2,olabel2 = pack2
##exterior1c = exterior1.copy()
exterior2c = exterior2.copy()
extdistc = extdist.copy()
maincheck = True
if random.random() >= .5:
border = 2
else:
border = 3
## if random.random() >= .5:
## first = True
## else:
## first = False
first = True
border = 3 ## checking doubles only
enode2 = getrandomexterior(exterior2)
nnode2f = olabel2[enode2]['neighbors'][-1]
nnode2l = olabel2[enode2]['neighbors'][0]
nnode4f = getnnode(enode2, nnode2f, olabel2)
nnode4l = getnnode(enode2, nnode2l, olabel2)
mindist, mexteriors = getminext(extdistc)
exterior1c = getminextdict(mexteriors,exterior1)
while maincheck:
enode1 = getrandomexterior(exterior1c)
nnode1f = olabel1[enode1]['neighbors'][0]
nnode1l = olabel1[enode1]['neighbors'][-1]
nnode3f = getnnode(enode1, nnode1f, olabel1)
nnode3l = getnnode(enode1, nnode1l, olabel1)
if border == 2:
t1 = exteriorcheck(nnode1f,olabel1)
t2 = exteriorcheck(nnode1l,olabel1)
if t1:
return (2,first,[[enode1,nnode1f],[enode2,nnode2f]])
elif t2:
return (2,not first,[[enode1,nnode1l],[enode2,nnode2l]])
else:
t1 = exteriorcheck(nnode1f,olabel1)
t2 = exteriorcheck(nnode1l,olabel1)
t3 = exteriorcheck(nnode3f,olabel1)
t4 = exteriorcheck(nnode3l,olabel1)
if t1 and t3:
return (3,first,[[enode1,nnode1f, nnode3f],
[enode2,nnode2f, nnode4f]])
elif t2 and t4:
return (3,not first,[[enode1,nnode1l, nnode3l],
[enode2,nnode2l, nnode4l]])
if t1:
return (2,first,[[enode1,nnode1f],[enode2,nnode2f]])
elif t2:
return (2,not first,[[enode1,nnode1l],[enode2,nnode2l]])
del exterior1c[enode1]
##print('exterior: ', exterior1)
if len(exterior1c) == 0:
del extdistc[mindist]
if len(extdistc) == 0:
return (None,None,None)
mindist, mexteriors = getminext(extdistc)
exterior1c = getminextdict(mexteriors,exterior1)
def getbonds(pack1,pack2,extdist):
interior1,exterior1,olabel1 = pack1
interior2,exterior2,olabel2 = pack2
rmap = {}
bordermap = {} ## on the primary pack1
## ## generate random bond type
## if random.random() >= .5:
## border = 2
## else:
## border = 3
## ## pick a position around complex1
## p1ekeys = list(exterior1.keys())
## p1ekeysn = len(p1ekeys)-1
## posi = random.randint(0,p1ekeysn)
## enode1 = p1ekeys[posi]
##
## ## pick a position around complex2
## p2ekeys = list(exterior2.keys())
## p2ekeysn = len(p2ekeys)-1
## pos2i = random.randint(0,p2ekeysn)
## enode2 = p2ekeys[pos2i]
## first = True
## if random.random() >= .5:
## first = True
## else:
## first = False
border, first, rnodes = getrandomexteriors(pack1,pack2,extdist)
enode1 = rnodes[0][0]
enode2 = rnodes[1][0]
## if the bond type is double then we check for a triple bond
## requirement (namely, that a position isn't an inter primitive
## bond order node).
if border == 2:
nnode1 = None
##print('hit border2')
if first:
nnode1 = olabel1[enode1]['neighbors'][0]
bordermap[nnode1] = [enode1,nnode1]
bordermap[enode1] = [enode1,nnode1]
else:
nnode1 = olabel1[enode1]['neighbors'][-1]
bordermap[nnode1] = [nnode1,enode1]
bordermap[enode1] = [nnode1,enode1]
nnode2 = None
if first:
nnode2 = olabel2[enode2]['neighbors'][-1]
else:
nnode2 = olabel2[enode2]['neighbors'][0]
t1 = olabel1[enode1]['identifier'] == 0
t2 = olabel1[nnode1]['identifier'] == 0
t3 = olabel2[enode2]['identifier'] == 0
t4 = olabel2[enode2]['identifier'] == 0
rmap[enode1] = enode2
rmap[nnode1] = nnode2
if t1 or t2 or t3 or t4:
## require a triple bond order
## enode1 is mapped to enode2
## nnode1 is mapped to nnode2
## prioritize t1 or t3 bonds firstly
if t1 or t3:
nnode3 = getnnode(enode1, nnode1, olabel1)
## make sure nnode3 is exterior
t5 = exteriorcheck(nnode3,olabel1)
if first and t5:
bordermap[nnode1] = [enode1,nnode1]
bordermap[enode1] = [nnode3,enode1,nnode1]
bordermap[nnode3] = [nnode3,enode1]
elif not first and t5:
bordermap[nnode1] = [nnode1,enode1]
bordermap[enode1] = [nnode1,enode1,nnode3]
bordermap[nnode3] = [enode1,nnode3]
if t5:
nnode4 = getnnode(enode2, nnode2, olabel2)
rmap[nnode3] = nnode4
else:
nnode3 = getnnode(nnode1, enode1, olabel1)
t5 = exteriorcheck(nnode3,olabel1)
if first and t5:
bordermap[nnode1] = [enode1,nnode1,nnode3]
bordermap[enode1] = [enode1,nnode1]
bordermap[nnode3] = [nnode1,nnode3]
elif not first and t5:
bordermap[nnode1] = [nnode3,nnode1,enode1]
bordermap[enode1] = [nnode1,enode1]
bordermap[nnode3] = [nnode3,nnode1]
if t5:
nnode4 = getnnode(nnode2, enode2, olabel2)
rmap[nnode3] = nnode4
else:
## we still check the bond order of the end nodes in either direction
## to ensure that we don't have inter primitive bond order node
## we can have either a 4 or 5 order bond type
## required here.
##print('hit border3')
if first:
nnode1 = olabel1[enode1]['neighbors'][0]
nnode2 = getnnode(enode1, nnode1, olabel1)
nnode3 = olabel2[enode2]['neighbors'][-1]
nnode4 = getnnode(enode2, nnode3, olabel2)
else:
nnode1 = olabel1[enode1]['neighbors'][-1]
nnode2 = getnnode(enode1, nnode1, olabel1)
nnode3 = olabel2[enode2]['neighbors'][0]
nnode4 = getnnode(enode2, nnode3, olabel2)
rmap[enode1] = enode2
rmap[nnode1] = nnode3
rmap[nnode2] = nnode4
t1 = olabel1[nnode1]['identifier'] == 0
t2 = olabel1[nnode2]['identifier'] == 0
t3 = olabel2[nnode3]['identifier'] == 0
t4 = olabel2[nnode4]['identifier'] == 0
t5 = len(olabel2) > 4
t6 = len(olabel2) > 5
if first:
bordermap[nnode1] = [enode1,nnode1]
bordermap[enode1] = [nnode2,enode1,nnode1]
bordermap[nnode2] = [nnode2,enode1]
else:
bordermap[nnode1] = [nnode1,enode1]
bordermap[enode1] = [nnode1,enode1,nnode2]
bordermap[nnode2] = [enode1,nnode2]
## if (t1 or t3) and t5:
## nnode5 = getnnode(nnode1, enode1, olabel1)
## t7 = exteriorcheck(nnode5,olabel1)
## if first and t7:
## bordermap[nnode1] = [enode1,nnode1,nnode5]
## bordermap[nnode5] = [nnode1,nnode5]
#### bordermap[enode1] = (nnode1,enode1,nnode2)
#### bordermap[enode2] = (enode1,nnode2)
## elif not first and t7:
## bordermap[nnode1] = [nnode5,nnode1,enode1]
## bordermap[nnode5] = [nnode5,nnode1]
#### bordermap[enode1] = (nnode2,enode1,nnode1)
#### bordermap[enode2] = (nnode2,enode1)
## if t7:
## nnode6 = getnnode(nnode3, enode2, olabel2)
## rmap[nnode5] = nnode6
## if len(rmap) > 3:
## t7 = t6
## else:
## t7 = t5
## if (t2 or t4) and t5:
## nnode7 = getnnode(nnode2, enode1, olabel1)
## t7 = exteriorcheck(nnode7,olabel1)
## if first and t7:
#### bordermap[nnode1] = (nnode1,enode1)
#### bordermap[enode1] = (nnode1,enode1,nnode2)
## bordermap[nnode2] = [nnode7,nnode2,enode1]
## bordermap[nnode7] = [nnode7,nnode2]
## elif not first and t7:
#### bordermap[nnode1] = (enode1,nnode1)
#### bordermap[enode1] = (nnode2,enode1,nnode1)
## bordermap[nnode2] = [enode1,nnode2,nnode7]
## bordermap[nnode7] = [nnode2,nnode7]
## if t7:
## nnode8 = getnnode(nnode4, enode2, olabel2)
## rmap[nnode7] = nnode8
return (rmap, bordermap)
interior1, exterior1,olabel1 = {},{},{}
interior2, exterior2,olabel2 = {},{},{}
##hex2c(interior1,exterior1,olabel1)
##hex2c(interior2,exterior2,olabel2)
#### shift pack2 labeling, so as not to conflict with pack1
##interior2,exterior2,olabel2 = hexshiftplabel(interior2, exterior2,olabel2)
##pack1 = (interior1,exterior1,olabel1)
##pack2 = (interior2,exterior2,olabel2)
##
#### In this case, bottom of pack1 is indexed as 7,6,13,12
#### top of pack2 is indexed originally 4,5,9,10 or with reindexing + 13 units
#### 17,18,22,23
##igroup = {7:17,6:18,13:22,12:23}
#### connect packs
##connect(pack1,pack2,igroup)
## connected packs are assigned to pack1 so done
##hexc(interior1,exterior1,olabel1,1)
##hexc(interior2,exterior2,olabel2,2)
##interior2,exterior2,olabel2 = shiftplabel(interior2, exterior2,olabel2)
##pack1 = (interior1,exterior1,olabel1)
##pack2 = (interior2,exterior2,olabel2)
##igroup = getbonds(pack1,pack2)
##connect(pack1,pack2,igroup)
##***********************************
interior1, exterior1, olabel1 = {},{},{}
packs = []
extdist,extdistr = {},{}
extdistpack = (extdist,extdistr)
for i in range(ComplexSize):
pack = [interior1.copy(),exterior1.copy(),olabel1.copy()]
packs.append(pack)
prevlen = 0
mbonds = []
for i in range(ComplexSize):
igroup = {}
basei = random.randint(0,len(RandomBase)-1)
rbase = RandomBase[basei]
interior,exterior,olabel = packs[i]
ngonc(interior,exterior,olabel, i+1,rbase)
if i != 0:
binterior, bexterior, bolabel = packs[0]
interior,exterior,olabel = shiftplabel(interior, exterior,
olabel,prevlen)
packs[i] = [interior,exterior,olabel]
bonddat = getbonds(packs[0],packs[i],extdist)
igroup, border = bonddat
##print('Igroup: ', igroup)
##print('border: ', border)
for b in igroup:
if packs[0][2][b]['type'] == 'i':
mbonds.append(b)
extdistpack = (extdist,extdistr)
##print('extdistpack: ', extdistpack)
connect(packs[0],packs[i],igroup, border,extdistpack)
##prevlen = len(packs[0])
prevlen += len(packs[i][2])
else:
prevlen = len(packs[0][2])
## update extdist dictionary
for i in exterior:
updatexteriordist(extdistpack,1,i)
##print(packs[0])
##print('previous length: ', prevlen)
##cpack = CirclePack(interior1,exterior1)