import os,sys,locale,string
sys.path.append('./')
sys.path.append('/usr/local/bin/sassie/interface/')
import input_filter
import sassie.sasmol.sasmol as sasmol

def check_psegvariables_exist(psegvariables,glbls):
	error = []
	if psegvariables not in glbls:
		error.append('Please enter the dihedral variables by clicking on the button "click to enter dihedral variables"!')
	return error

def check_segvariables(pdbfile,psegvariables,flpsegname,seglow,seghigh):


	error = []

	allsith=[]
	allsnumranges=[]
	allsrlow=[]
	allsrnum=[]
	allmoltype=[]
	
	for i in range(len(psegvariables)):
		allsnumranges.append(psegvariables[i][0])
		allsith.append(psegvariables[i][1])
		allsrlow.append(psegvariables[i][2])
		allsrnum.append(psegvariables[i][3])
		allmoltype.append(psegvariables[i][4])

	'''
	for i in range(len(psegvariables)):
		moltype = allmoltype[i]
		if moltype.strip() not in ['protein','rna']:
			error.append('The molecule type "'+moltype+'" for flexible segment number '+str(i)+' in the flexible segment input fields should be either protein or rna!')
			return error
	'''

	aith=[] ; anumranges=[] ; arlow=[] ; arnum=[]
	for i in range(len(allsith)):
		linith=string.split(allsith[i],',')
		locith=[]
		for i in range(len(linith)):
			tith=linith[i]
			try:
				fith=locale.atof(tith)
			except:
				error.append('The angle value "'+tith+'" should be a float type!')
				return error
			if(fith>180.0 or fith<=0.0):
				error.append('The angle value "'+tith+'" should be in the range of (0.0,180.0]!')
				return error
			'''
			if(fith>180.0):
				fith=180.0
			elif(fith<0.0):
				fith=0.0
			'''
			locith.append(fith)
		aith.append(locith)

	for i in range(len(allsnumranges)):
		try:
			nr=locale.atoi(allsnumranges[i])
		except:
			error.append('The number of ranges "'+allsnumranges[i]+'" for flexible segment number '+str(i)+' in the flexible segment input fields should be an integer type!')
			return error
		if nr<1:
			error.append('The number of ranges "'+allsnumranges[i]+'" for flexible segment number '+str(i)+' in the flexible segment input fields should be equal/greater than 1!')
			return error
		anumranges.append(nr)

	for i in range(len(allsrlow)):
		linrlow=string.split(allsrlow[i],',')
		linrnum=string.split(allsrnum[i],',')
		rlow=[] ; rnum=[]
		for k in range(len(linrlow)):
			try:
				trlow=locale.atoi(linrlow[k])
			except:
				error.append('The low resid "'+allsrlow[i]+'" for flexible segment number '+str(i)+' in the flexible segment input fields should be an integer array!')
				return error
			rlow.append(trlow)
		for k in range(len(linrnum)):
			try:
				trnum=locale.atoi(linrnum[k])
			except:
				error.append('The number of continuous residues "'+allsrnum[i]+'" for flexible segment number '+str(i)+' in the flexible segment input fields should be an integer array!')
				return error
			rnum.append(trnum)
		arlow.append(rlow)
		arnum.append(rnum)


	for i in range(len(psegvariables)):
		numranges = anumranges[i]

		if numranges<1:
			error.append('number of ranges '+str(numranges)+' should be equal or greater than 1!')
			return error

		locvariables=['resid','moltype']
		segname = (flpsegname.split(','))[i].strip()
		value,result=input_filter.get_pdb_complex_stats(pdbfile,segname,locvariables)
		if value==1:
			resid=map(int,result[0])
			#moltype=map(str,result[1])
			moltype=result[1]
		elif value==0:
			error.append('cannot get the pdb statistics for segment '+segname)
			return error
		number_aa = resid[-1] - resid[0]+1

		seg_moltype = allmoltype[i]
		if seg_moltype.strip() not in moltype:
			error.append('The molecule type "'+seg_moltype+'" provided for flexible segment number '+str(i)+' in the flexible segment input fields does not match the pdb file!')
			return error

		lowres1 = seglow[i]
		highres1 = seghigh[i]
		if(lowres1 not in resid):
		        error.append('input pdb file, '+str(pdbfile)+' does not have low residue amino acid, '+str(lowres1)+', range = '+str(resid[0])+' : '+str(resid[-1]))
		        return error
		elif(highres1 not in resid):
		        error.append('input pdb file, '+str(pdbfile)+' does not have high residue amino acid, '+str(highres1)+', range = '+str(resid[0])+' : '+str(resid[-1]))
		        return error
		elif(highres1 - lowres1 < 3):
		        error.append('alignment basis is too small (less than 3 points) or low residue > high residue')
		        return error


		dtheta = aith[i]
		reslow = arlow[i]
		numcont = arnum[i]
		if(len(dtheta) != numranges):
        		error.append( 'the number of dtheta values does not match the number of ranges, dtheta = '+str(dtheta)+' numranges = '+str(numranges))
			return error
		elif(len(reslow) != numranges):
        		error.append( 'the number of low residue values does not match the number of ranges, lowres = '+str(reslow)+' numranges = '+str(numranges))
			return error
		elif(len(numcont) != numranges):
        		error.append( 'the number of contiguous residues does not match the number of ranges, lowres = '+str(numcont)+' numranges = '+str(numranges))
			return error

		''' #Checked above already
		for th in dtheta:
			if(th > 180.0):
				dtheta[th]=180.0
			elif(th < 0.0):
				dtheta[th]=0.0
		'''

		for j in xrange(numranges):
			if (reslow[j] not in resid):
				error.append('Input pdb file, '+str(pdbfile)+' does not have low residue amino acid, "'+str(reslow[j])+'" for segment number '+str(j)+', range = '+str(resid[0])+' : '+str(resid[-1]))
				return error
			elif (reslow[j]+numcont[j] not in resid):
				error.append('Input pdb file, '+str(pdbfile)+' does not have low+continuous residue amino acid, "'+str(reslow[j]+numcont[j])+'" for segment number '+str(j)+', range = '+str(resid[0])+' : '+str(resid[-1]))
				return error
			elif (numcont[j]<=0):
				error.append('The number of continuous residues "'+str(numcont[j])+'" should be greater than 0!')
				return error	
			elif (not ((lowres1>(reslow[j]+numcont[j])) or (highres1<reslow[j]))):
				error.append('alignment and flexible ranges should not overlap!')
				return error


		for j in xrange(numranges-1):
			if(reslow[j]< 2):
				error.append('low residue can not include the n-terminus, reslow = '+str(reslow))
				return error
			elif(reslow[j]>reslow[j+1]):
				error.append('low residue values must increase from low to high, reslow = '+str(reslow))
				return error	
			elif(reslow[j]+numcont[j] > reslow[j+1]):
				error.append('low residue values plus number contiguous overlap, reslow = '+str(reslow)+' numcont = '+str(numcont))
				return error	
			elif(reslow[j]+numcont[j] > number_aa-2):
				error.append('your low residue plus number contiguous exceed the number of amino acids ('+str(number_aa)+'), reslow = '+str(reslow)+' numcont = '+str(numcont))
				return error	
		if(reslow[-1]+numcont[-1] > number_aa-2):
			error.append('your low residue plus number contiguous exceed the number of amino acids ('+str(number_aa)+'), reslow = '+str(reslow)+' numcont = '+str(numcont))
			return error

	return error


def check_complex(variables,psegvariables,eflag,monflag):
      
	runname	= variables['runname'][0]
	dcdfile	= variables['dcdfile'][0]
	path		= variables['path'][0]
	pdbfile	= variables['pdbfile'][0]
	trials	= variables['trials'][0]
	goback	= variables['goback'][0]
	temp		= variables['temp'][0]

	nsegments	= variables['nsegments'][0]         
	segbasis	= variables['segbasis'][0]          
	npsegments	= variables['npsegments'][0]        
	flpsegname	= variables['flpsegname'][0]	 
	seglow	= variables['seglow'][0]            
	seghigh	= variables['seghigh'][0]           


	basis		= variables['basis'][0]
	cutoff	= variables['cutoff'][0]
	lowrg		= variables['lowrg'][0]
	highrg	= variables['highrg'][0]

	zflag		= variables['zflag'][0]
	zcutoff		= variables['zcutoff'][0]
	cflag		= variables['cflag'][0]
	confile		= variables['confile'][0]
	
	error=[]
        ev,rv,wv=input_filter.check_permissions(path)
        if(ev == 0 or rv ==  0 or wv == 0):
        	error.append('permission error in input file path '+path+'  [code = '+str(ev)+str(rv)+str(wv)+']')
		if(ev==0):
			error.append('path does not exist')
		elif(rv==0):
			error.append('read permission not allowed')
		elif(wv==0):
			error.append('write permission not allowed')
		return error

	pdbfile=path+'/'+pdbfile
        ev,value=input_filter.check_pdb_dcd(pdbfile,'pdb')

        if(ev == 0):
        	error.append('input pdb file, '+pdbfile[3:]+', does not exist')
		return error
        if(value == 0):
        	error.append( 'input pdb file, '+pdbfile[3:]+', is not a valid pdb file')
		return error


	if(trials < 1):
        	error.append( 'trials = '+str(trials)+'?')
		return error
	elif(goback < 1):
        	error.append( 'goback = '+str(trials)+'?')
		return error
	elif(temp < 0):
        	error.append( 'use a positive temperature, temperature = '+str(temp))
		return error
	elif(cutoff < 1.0):
        	error.append( 'use a larger cutoff value, cutoff = '+str(cutoff))
		return error
	elif(zflag != 0 and zflag != 1):
        	error.append( 'zflag == 0 for "no" and 1 for "yes", zflag = '+str(zflag))
		return error
	elif(zflag == 1):
		if zcutoff < 1.0:
        		error.append( 'use a larger zcutoff value, zcutoff = '+str(zcutoff))
			return error
	elif(cflag != 0 and cflag != 1):
        	error.append( 'cflag == 0 for "no" and 1 for "yes", cflag = '+str(cflag))
		return error
	elif(cflag == 1):
		locerror = input_filter.check_file_exists(os.path.join(path,confile))
		if len(locerror):
        		error.append(locerror)
		return error
	elif(lowrg > highrg):
        	error.append( 'low Rg cutoff is larger than high Rg cutoff, lowrg = '+str(lowrg)+' highrg = '+str(highrg))
		return error
	elif(lowrg < 0 or highrg < 0):
        	error.append( 'Rg cutoffs need to be >= zero, lowrg = '+str(lowrg)+' highrg = '+str(highrg))
		return error
	elif(nsegments<1):
		error.append('the number of segment '+str(nsegments)+' should be equal/greater than 1!')
		return error
	elif(npsegments<1):
		error.append('the number of flexible segment '+str(npsegments)+' should be equal/greater than 1!')
		return error
	elif (npsegments>nsegments):
		error.append('the number of flexible segment '+str(npsegments)+' should be equal/less than the number of total segments '+str(nsegments)+'!')
		return error
	elif(len(segbasis.split(',')) != nsegments):
        	error.append( 'the number of segment basis does not match the number of segments: number of segbasis = '+str(len(segbasis.split(',')))+' number of segments = '+str(nsegments))
		return error
	elif(len(flpsegname.split(',')) != npsegments):
        	error.append( 'the number of flexible segment names does not match the number of flexible segments: number of flexible segment names = '+str(len(flpsegname.split(',')))+' number of flexible segments = '+str(npsegments))
		return error
	elif(len(seglow) != npsegments):
        	error.append( 'the number of alignment low residues does not match the number of  flexible segments: number of alignment low residues = '+str(len(seglow))+' number of  flexible segments = '+str(npsegments))
		return error
	elif(len(seghigh) != npsegments):
        	error.append( 'the number of alignment high residues does not match the number of  flexible segments: number of alignment high residues = '+str(len(seghigh))+' number of  flexible segments = '+str(npsegments))
		return error


	otmp = sasmol.SasMol(0)
	otmp.read_pdb(pdbfile,fastread=True)
	for item in segbasis.split(','):
		if item.strip() not in otmp.name():
			error.append('The segment alignment basis "'+item+'" is not found in the pdb file!')
			return error
	for item in flpsegname.split(','):
		if item.strip() not in otmp.segname():
			error.append('The flexible segment name "'+item+'" is not found in the pdb file!')
			return error

	locvariables=['resid']
	value,result=input_filter.get_pdb_stats(pdbfile,locvariables)
	resid=map(int,result[0])

	if(resid[0] != 1):
		error.append('amino acid residues in starting pdbfile '+pdbfile+' must start at resid = 1 : '+str(resid[0]))
		return error

	number_aa = resid[-1] - resid[0]

	for i in xrange(number_aa):
		ti=i+1
		if ti not in resid:
			error.append('amino acid '+ti+' is missing from pdbfile'+pdbfile)
			return error


	lerror = check_segvariables(pdbfile,psegvariables,flpsegname,seglow,seghigh)
	if len(lerror):
		#error.append('failed to check segvariables in the complex filter!')
		error.append(lerror)
		return error

#	if(nonbondflag == 1):
#
#        	ev,rv,wv=input_filter.check_permissions(psffilepath)
#        	if(ev == 0 or rv ==  0 or wv == 0):
#        		error.append('permission error in psf file path '+psffilepath+'  [code = '+str(ev)+str(rv)+str(wv)+']')
#			if(ev==0):
#				error.append('path does not exist')
#			elif(rv==0):
#				error.append('read permission not allowed')
#			elif(wv==0):
#				error.append('write permission not allowed')
#			return error
#        	
#		ev,rv,wv=input_filter.check_permissions(parmfilepath)
#        	if(ev == 0 or rv ==  0 or wv == 0):
#        		error.append('permission error in parameter file path '+parmfilepath+'  [code = '+str(ev)+str(rv)+str(wv)+']')
#			if(ev==0):
#				error.append('path does not exist')
#			elif(rv==0):
#				error.append('read permission not allowed')
#			elif(wv==0):
#				error.append('write permission not allowed')
#			return error
#
#		psffilename=psffilepath+'/'+psffilename
#		ev,value=input_filter.certify_pdb_psf(pdbfile,psffilename)
#
#        	if(ev == 0):
#        		error.append('input psf file, '+psffilename[3:]+', does not exist')
#			return error
#        	if(value == 0):
#                	error.append('psffile '+psffilename[3:]+' and pdbfile '+pdbfile[3:]+' are not compatible (different number of atoms)')
#        	
#			return error
#	
#		parmfilename=parmfilepath+'/'+parmfilename
#		error=input_filter.check_file_exists(parmfilename)	


	return error