from __future__ import print_function

import os
import re
import sys
import struct
import pymol
import math
from .xray import space_group_map


if sys.byteorder == "big":
    MACH_ARCH_CODE_INT = 1
    MACH_ARCH_CODE_FLT = 1
else:
    MACH_ARCH_CODE_INT = 4
    MACH_ARCH_CODE_FLT = 4

class baseHeader:
    """
    A simple base class used to parse biological data headers
    """
    def __init__(self,filename):
        self.filename  = filename
        self.cols      = []
        self.byteorder_int = None
        self.byteorder_flt = None
        self.wordsize  = None

    def parseFile(self):
        pass
    def getColumns(self):
        return self.cols
    def getColumnsOfType(self,targetType):
        pass
    def checkFile(self):
        return os.path.isfile(self.filename)

    def guessCols(self,mapType):
        fC = self.getColumnsOfType("F")
        pC = self.getColumnsOfType("P")

        looksLike, FCol, PCol = [None]*3

        for prg in ("refmac", "phenix", "phenix_no_fill", "buster"):
            #
            # default (refmac,phenix,phenix_no_fill,buster) names are in the format:
            #  "2FoFc-amplitude 2FoFc-phase FoFc-ampl FoFc-phase"
            #
            defaultNames = pymol.cmd.get_setting_text("default_%s_names" % (prg))

            if len(defaultNames):
                defaultNames = defaultNames.split()
                if len(defaultNames):
                    if mapType.lower() == "2fofc":
                        defaultF, defaultP = defaultNames[0], defaultNames[1]
                    elif mapType.lower() == "fofc":
                        defaultF, defaultP = defaultNames[2], defaultNames[3]
                else:
                    print("Error: Please provide the setting 'default_%s_names' a comma separated string" % (prg))
                    print("       with the values for 2FoFc and FoFc, amplitude and phase names, respectively.")
                    return [None]*3
            else:
                print("Error: Please provide the setting 'default_%s_names' a comma separated string" % (prg))
                print("       with the values for 2FoFc and FoFc, amplitude and phase names, respectively.")
                return [None]*3
                        

            # defaultF =~ "FWT", "2FOFCFWT", "2FOFCWT_no_fill", "2FOFCWT", "DELFWT", "FOFCWT", ..
            for curFCol in fC:
                if curFCol.endswith(defaultF):
                    # found F, now look for matching P
                    pfx = curFCol.rstrip(defaultF)
                    curPCol = pfx+defaultP

                    ## print "curFCol = %s" % curFCol
                    ## print "curPCol = %s" % curPCol
                    
                    if curPCol in pC:
                        # found perfectly matching columns
                        looksLike = prg
                        FCol = curFCol
                        PCol = curPCol
                        return (FCol, PCol, looksLike)
        return [None]*3
                            
        

class CNSHeader(baseHeader):
    """
    CNS format
    """
    def __init__(self,filename):
        ## print "CNSHeader cstr"
        baseHeader.__init__(self,filename)
        self.parseFile()
    
class CIFHeader(baseHeader):
    """
    mmCIF
    """
    def __init__(self,filename):
        baseHeader.__init__(self,filename)
        self.parseFile()

    def parseFile(self):
        if self.checkFile():
            try:
                inFile = open(self.filename,'rb')
                data = inFile.readlines()
                inFile.close()

                in_loop = False
                
                curLine = data.pop(0)
                while curLine!=None:
                    if in_loop:
                        if curLine.startswith("_refln."):
                            self.cols.append(curLine.split(".",1)[1].strip())
                        else:
                            in_loop=False
                    else:
                        if curLine.startswith("loop_"):
                            in_loop=True
                    if len(data):
                        curLine = data.pop(0)
                    else:
                        curLine = None


            except IOError as e:
                print("Error-CIFReader: Couldn't read '%s' for input." % (self.filename))

class MTZHeader(baseHeader):
    HEADER_KEYWORDS = {
	"VERS"    : "VERS",
	"TITLE"   : "TITLE",
	"NCOL"    : "NCOL",
	"CELL"    : "CELL",
	"SORT"    : "SORT",
	"SYMINF"  : "SYMINF",
	"SYMM"    : "SYMM",
	"RESO"    : "RESO",
	"VALM"    : "VALM",
        "NDIF"    : "NDIF",
	"COL"     : "COL",
	"PROJECT" : "PROJECT",
	"CRYSTAL" : "CRYSTAL",
	"DATASET" : "DATASET",
	"DCELL"   : "DCELL",
	"DWAVEL"  : "DWAVEL",
	"BATCH"   : "BATCH",
        }

    """
    MTZ/CCP4
    """
    def __init__(self,filename):
        baseHeader.__init__(self,filename)

        self.version   = None
        self.title     = None
        self.ncol      = None
        self.nrefl     = None
        self.nbatches  = None
        self.cell      = None
        self.sort      = None
        self.syminf    = None
        self.symm      = []
        self.reso_min  = None
        self.reso_max  = None
        self.valm      = None
        self.ndif      = None
        self.col       = None
        self.project   = None
        self.crystal   = None
        self.dataset   = None
        self.dcell     = None
        self.dwavel    = None
        self.batch     = None

        self.datasets  = {}

        self.parseFile()
        self.format_cols()

    def format_cols(self,colType=None):
        """
        updates self.cols to a list of cols of a
        given MTZ type
        """
        self.cols = []

        # UNIQUE:
        # crystal_name/dataset_name/col_label"
        s = "/"
        c = []
        for key in self.datasets:
            c=[]
            ## print "KEY = %s" % key
            # user wants all columns
            if colType==None:
                c = list(self.datasets[key]["cols"].keys())
            else:
                # user wants a specfic column
                for tmpCol in self.datasets[key]["cols"].keys():
                    if self.datasets[key]["cols"][tmpCol]["type"]==colType:
                        c.append(tmpCol)
            ## print "Columns of type %s are: " % colType
            ## print c
            ## print "Now formatting...."
            if "crystal" in self.datasets[key]:
                curCryst = [ self.datasets[key]["crystal"] ] * len(c)
            else:
                curCryst = "nameless_crystal" * len(c)
            ## print "CurCrystal is: %s." % curCryst
            datName  = [ self.datasets[key]["name"] ] * len(c)
            self.cols.extend(
                ["/".join(x) for x in zip(curCryst,datName,c)])

    def getColumns(self):
        self.format_cols()
        return baseHeader.getColumns(self)

    def getColumnsOfType(self,colType):
        self.format_cols(colType)
        return baseHeader.getColumns(self)
        
    def get_byteorder(self):
        f = open(self.filename, 'rb')
        f.seek(8)
        d = struct.unpack("BBBB",f.read(4))
        f.close()
        return (d[1]>>4) & 0x0f, (d[0]>>4) & 0x0f

    def authorStamp(self,f):
        # seek the machine stamp
        f.seek(8,0)
        # read machine stamp
        (B0,B1,B2,B3) = struct.unpack("BBBB", f.read(4))

        # determines big or little endian:
        # double, float, int, char
        d = (B0 & 0xF0) >> 4
        f = (B0 & 0x0F)
        i = (B1 & 0xF0) >> 4
        c = (B1 & 0x0F)

        if d==1:
            # big endian
            self.byteorder_flt = ">"
        elif d==4:
            # little endian
            self.byteorder_flt = "<"

        if i==1:
            # big
            self.byteorder_int = ">"
            self.wordsize = 1
        elif i==4:
            self.byteorder_int = "<"
            self.wordsize = 4
        
    def parseFile(self):
        import shlex

        if self.checkFile():
            f = open(self.filename,'rb')

            # sets authoring machine's details
            self.authorStamp(f)

            # get file size
            f.seek(0,2)
            file_len = f.tell()
            # get header offset
            f.seek(4)
            if self.wordsize!=None:
                (header_start,) = struct.unpack(self.byteorder_int+"i", f.read(4))
            else:
                print("Warning: Byte order of file unknown.  Guessing header location.")
                (header_start,) = struct.unpack("i", f.read(4))

            # bAdjust is the byte adjustment to compensate for
            # older machines with smaller atomic sizes
            host_word_size = len(struct.pack('i',0))
            author_word_size = self.wordsize
            if host_word_size<author_word_size:
                bAdjust = author_word_size / host_word_size
            elif host_word_size>author_word_size:
                bAdjust = author_word_size * host_word_size
            else:
                bAdjust = host_word_size
                
            header_start  = (header_start-1) * (bAdjust)

            if file_len<header_start:
                print("Error: File '%s' cannot be parsed because PyMOL cannot find the header.  If you think")
                print("       PyMOL should be able to read this, plese send the file and this mesage to ")
                print("       help@schrodinger.com.  Thanks!")

            f.seek(header_start)

            curLine = struct.unpack("80s", f.read(80))[0]
            curLine = str(curLine.decode())
            
            while not (curLine.startswith("END")):
                # yank field identifier
                (field, tokens) = curLine.split(" ",1)
                
                H = MTZHeader.HEADER_KEYWORDS
                try:
                    if field.startswith(H["VERS"]):
                        self.version = tokens
                    elif field.startswith(H["TITLE"]):
                        self.title = tokens
                    elif field.startswith(H["NCOL"]):
                        (self.ncols, self.nrefl, self.nbatches) = tokens.split()
                    elif field.startswith(H["CELL"]):
                        tokens = tokens.split()
                        self.cell_dim    = tokens[:3]
                        self.cell_angles = tokens[3:]
                    elif field.startswith(H["SORT"]):
                        self.sort = tokens.split()
                    elif field.startswith(H["SYMINF"]):
                        tokens = shlex.split(tokens)
                        self.nsymmop  = tokens[0]
                        self.nprimop  = tokens[1]
                        self.lattice  = tokens[2]
                        self.groupnum = tokens[3]
                        self.space_group = tokens[4]
                        self.pt_group    = tokens[5]

                        # valid format for MTZ space group?
                        self.space_group = space_group_map.get(self.space_group, self.space_group)

                    elif field.startswith(H["SYMM"]):
                        tokens = tokens.split()
                        tokens = [x.strip(",").strip() for x in tokens]
                        self.symm.append(tokens)
                    elif field.startswith(H["RESO"]):
                        self.reso_min, self.reso_max = tokens.split()
                        self.reso_min = math.sqrt(1./float(self.reso_min))
                        self.reso_max = math.sqrt(1./float(self.reso_max))
                    elif field.startswith(H["VALM"]):
                        self.missing_flag = tokens
                    elif field.startswith(H["COL"]):
                        if field == "COLSRC":
                            raise pymol.cmd.QuietException
                        (lab,typ,m,M,i) = tokens.split()
                        if i not in self.datasets:
                            self.datasets[i] = {}
                            self.datasets[i]["cols"]  = {}
                            
                        self.datasets[i]["cols"][lab] = {}
                        self.datasets[i]["cols"][lab]["type"] = typ
                        self.datasets[i]["cols"][lab]["min"]  = m
                        self.datasets[i]["cols"][lab]["max"]  = M
                        self.datasets[i]["cols"][lab]["id"]   = i
                    elif field.startswith(H["NDIF"]):
                        self.ndif = int(tokens)
                    elif field.startswith(H["PROJECT"]):
                        (i,proj) = tokens.split(None, 1)
                        if i not in self.datasets:
                            self.datasets[i] = {}
                        self.datasets[i]["project"] = proj.strip()
                    elif field.startswith(H["CRYSTAL"]):
                        # can have multiple crystals per dataset?
                        # if, so not supported (overwritten) here.
                        (i,cryst) = tokens.split(None, 1) 
                        if i not in self.datasets:
                            self.datasets[i] = {}
                        self.datasets[i]["crystal"] = cryst.strip()
                    elif field.startswith(H["DATASET"]):
                        (i,d) = tokens.split(None, 1)
                        if i not in self.datasets:
                            self.datasets[i] = {}
                        self.datasets[i]["name"] = d.strip()
                    elif field.startswith(H["DCELL"]):
                        (i,x,y,z,a,b,g) = tokens.split()
                        if i not in self.datasets:
                            self.datasets[i] = {}
                        self.datasets[i]['x'] = x
                        self.datasets[i]['y'] = y
                        self.datasets[i]['z'] = z
                        self.datasets[i]['alpha'] = a
                        self.datasets[i]['beta'] = b
                        self.datasets[i]['gamma'] = g
                    elif field.startswith(H["DWAVEL"]):
                        (i,wl) = tokens.split()
                        if i not in self.datasets:
                            self.datasets[i] = {}
                        self.datasets[i]["wavelength"] = wl
                    elif field.startswith(H["BATCH"]):
                        self.batch = tokens
                    else:
                        print("Error Parsing MTZ Header: bad column name: '%s'" % field)
                except ValueError:
                    print("Error: Parsing MTZ Header poorly formatted MTZ file")
                    print("       bad field: '%s'" % field)
                except pymol.cmd.QuietException:
                    pass

                curLine = struct.unpack("80s", f.read(80))[0]
                curLine = str(curLine.decode())


if __name__=="__main__":

    c = CIFHeader("test.cif")
    print(c.getColumns())

    m = MTZHeader("test.mtz")
    print(m.getColumns())
