diff options
Diffstat (limited to 'tex/context/base/chem-str.lua')
| -rw-r--r-- | tex/context/base/chem-str.lua | 134 |
1 files changed, 84 insertions, 50 deletions
diff --git a/tex/context/base/chem-str.lua b/tex/context/base/chem-str.lua index fb325ccea..db1849c5a 100644 --- a/tex/context/base/chem-str.lua +++ b/tex/context/base/chem-str.lua @@ -1,12 +1,15 @@ if not modules then modules = { } end modules ['chem-str'] = { version = 1.001, comment = "companion to chem-str.mkiv", - author = "Hans Hagen, PRAGMA-ADE, Hasselt NL", + author = "Hans Hagen and Alan Braslau", copyright = "PRAGMA ADE / ConTeXt Development Team", license = "see context related readme files" } --- This module in incomplete and experimental. +-- The original \PPCHTEX\ code was written in pure \TEX\, although later we made +-- the move from \PICTEX\ to \METAPOST\. The current implementation is a mix between +-- \TEX\, \LUA\ and \METAPOST. Although the first objective is to get a compatible +-- but better implementation, later versions might provide more, -- We can push snippets into an mp instance. @@ -26,12 +29,12 @@ local P, R, S, C, Cs, Ct, Cc = lpeg.P, lpeg.R, lpeg.S, lpeg.C, lpeg.Cs, lpeg.Ct, local variables = interfaces.variables local context = context -chemicals = chemicals or { } -local chemicals = chemicals +chemistry = chemistry or { } +local chemistry = chemistry -chemicals.instance = "metafun" -- "ppchtex" -chemicals.format = "metafun" -chemicals.structures = 0 +chemistry.instance = "metafun" -- "ppchtex" +chemistry.format = "metafun" +chemistry.structures = 0 local remapper = { ["+"] = "p", @@ -52,7 +55,9 @@ local common_keys = { mid = "fixed", mids = "fixed", midz = "text", z = "text", rz = "text", mrz = "text", prz = "text", crz = "text", rt = "text", rtt = "text", rbt = "text", zt = "text", zn = "number", - mov = "transform", rot = "transform", adj = "transform", dir = "transform", sub = "transform", + zbt = "text", zbn = "number", ztt = "text", ztn = "number", + mov = "transform", rot = "transform", adj = "transform", sub = "transform", + off = "transform", } local front_keys = { @@ -60,9 +65,11 @@ local front_keys = { sb = "line", msb = "line", psb = "line", r = "line", pr = "line", mr = "line", z = "text", mrz = "text", prz = "text", + zt = "text", zn = "number", } local one_keys = { + b = "line", msb = "line", psb = "line", sb = "line", db = "line", tb = "line", ep = "line", es = "line", ed = "line", et = "line", sd = "line", ldd = "line", rdd = "line", @@ -81,15 +88,16 @@ local syntax = { one = { n = 1, max = 8, keys = one_keys, align = { - z = { { "r", "r_b", "b", "l_b", "l", "l_t", "t", "r_t" } }, ---~ z = { { "r", "r", "b", "l", "l", "l", "t", "r" } }, + -- z = { { "r", "r_b", "b", "l_b", "l", "l_t", "t", "r_t" } }, + -- z = { { "r", "r", "b", "l", "l", "l", "t", "r" } }, } }, three = { n = 3, max = 3, keys = common_keys, align = { mrz = { { "r","b","l" }, { "b","l","t" }, { "l","t","r" }, { "t","r","b" } }, - rz = { { "r","l_b","l_t" }, { "b","l_t","r_t" }, { "l","r_t","r_b" }, { "t","r_b","l_b" } }, + rz = { { "auto","auto","auto" }, { "auto","auto","auto" }, { "auto","auto","auto" }, { "auto","auto","auto" } }, + -- rz = { { "r_t","r_b","l" }, { "r_b","l_b","t" }, { "l_b","l_t","r" }, { "l_t","r_t","b" } }, prz = { { "r","l","t" }, { "b","t","r" }, { "l","r","b" }, { "t","b","l" } }, } }, @@ -97,7 +105,8 @@ local syntax = { n = 4, max = 4, keys = common_keys, align = { mrz = { { "t","r","b","l" }, { "r","b","l","t" }, { "b","l","t","r" }, { "l","t","r","b" } }, - rz = { { "r_t","r_b","l_b","l_t" }, { "r_b","l_b","l_t","r_t" }, { "l_b","l_t","r_t","r_b" }, { "l_t","r_t","r_b","l_b" } }, + rz = { { "auto","auto","auto","auto" }, { "auto","auto","auto","auto" }, { "auto","auto","auto","auto" }, { "auto","auto","auto","auto" } }, + -- rz = { { "r_t","r_b","l_b","l_t" }, { "r_b","l_b","l_t","r_t" }, { "l_b","l_t","r_t","r_b" }, { "l_t","r_t","r_b","l_b" } }, prz = { { "r","b","l","t" }, { "b","l","t","r" }, { "l","t","r","b" }, { "t","r","b","l" } }, } }, @@ -105,7 +114,8 @@ local syntax = { n = 5, max = 5, keys = common_keys, align = { mrz = { { "t","r","b","b","l" }, { "r","b","l","l","t" }, { "b","l","t","r","r" }, { "l","t","r","r","b" } }, - rz = { { "r","r","b","l","t" }, { "b","b","l","t","r" }, { "l","l","t","r","b" }, { "t","t","r","b","l" } }, + rz = { { "auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto" } }, + -- rz = { { "r","r","b","l","t" }, { "b","b","l","t","r" }, { "l","l","t","r","b" }, { "t","t","r","b","l" } }, prz = { { "r","b","l","t","t" }, { "b","l","t","r","r" }, { "l","t","r","b","b" }, { "t","r","b","l","l" } }, } }, @@ -113,7 +123,8 @@ local syntax = { n = 6, max = 6, keys = common_keys, align = { mrz = { { "t","t","r","b","b","l" }, { "r","b","b","l","t","t" }, { "b","b","l","t","t","r" }, { "l","t","t","r","b","b" } }, - rz = { { "r","r","b","l","l","t" }, { "b","b","l","t","t","r" }, { "l","l","t","r","r","b" }, { "t","t","r","b","b","l" } }, + rz = { { "auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto" } }, + -- rz = { { "r","r","b","l","l","t" }, { "b","b","l","t","t","r" }, { "l","l","t","r","r","b" }, { "t","t","r","b","b","l" } }, prz = { { "r","b","l","l","t","r" }, { "b","l","t","t","r","b" }, { "l","t","r","r","b","l" }, { "t","r","b","b","l","t" } }, } }, @@ -121,7 +132,8 @@ local syntax = { n = 8, max = 8, keys = common_keys, align = { -- todo mrz = { { "t","r","r","b","b","l","l","t" }, { "r","b","b","l","l","t","t","r" }, { "b","l","l","t","t","r","r","b" }, { "l","t","t","r","r","b","b","l" } }, - rz = { { "r","r","b","b","l","l","t","t" }, { "b","b","l","l","t","t","r","r" }, { "l","l","t","t","r","r","b","b" }, { "t","t","r","r","b","b","l","l" } }, + rz = { { "auto","auto","auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto","auto","auto" }, { "auto","auto","auto","auto","auto","auto","auto","auto" } }, + -- rz = { { "r","r","b","b","l","l","t","t" }, { "b","b","l","l","t","t","r","r" }, { "l","l","t","t","r","r","b","b" }, { "t","t","r","r","b","b","l","l" } }, prz = { { "r","b","b","l","l","t","t","r" }, { "b","l","l","t","t","r","r","b" }, { "l","t","t","r","r","b","b","l" }, { "t","r","r","b","b","l","l","t" } }, } }, @@ -147,11 +159,11 @@ local syntax = { local definitions = { } -function chemicals.undefine(name) +function chemistry.undefine(name) definitions[lower(name)] = nil end -function chemicals.define(name,spec,text) +function chemistry.define(name,spec,text) name = lower(name) local dn = definitions[name] if not dn then dn = { } definitions[name] = dn end @@ -162,7 +174,7 @@ function chemicals.define(name,spec,text) end local metacode, variant, keys, bonds, max, txt, textsize, rot, pstack -local molecule = chemicals.molecule -- or use lpegmatch(chemicals.moleculeparser,...) +local molecule = chemistry.molecule -- or use lpegmatch(chemistry.moleculeparser,...) local function fetch(txt) local st = stack[txt] @@ -196,35 +208,46 @@ local text = (equal * C(P(1)^0)) + Cc(false) local pattern = (amount + Cc(1)) * - operation * - special * ( + Cs(operation/lower) * + Cs(special/lower) * ( +-- operation * +-- special * ( range * Cc(false) * text + Cc(false) * Cc(false) * set * text + single * Cc(false) * Cc(false) * text + Cc(false) * Cc(false) * Cc(false) * text ) ---~ local n, operation, index, upto, set, text = lpegmatch(pattern,"RZ1357") +-- local n, operation, index, upto, set, text = lpegmatch(pattern,"RZ1357") ---~ print(lpegmatch(pattern,"RZ=x")) 1 RZ false false false x ---~ print(lpegmatch(pattern,"RZ1=x")) 1 RZ 1 false false x ---~ print(lpegmatch(pattern,"RZ1..3=x")) 1 RZ 1 3 false x ---~ print(lpegmatch(pattern,"RZ13=x")) 1 RZ false false table x +-- print(lpegmatch(pattern,"RZ=x")) -- 1 RZ false false false x +-- print(lpegmatch(pattern,"RZ1=x")) -- 1 RZ 1 false false x +-- print(lpegmatch(pattern,"RZ1..3=x")) -- 1 RZ 1 3 false x +-- print(lpegmatch(pattern,"RZ13=x")) -- 1 RZ false false table x local function process(spec,text,n,rulethickness,rulecolor,offset) insert(stack,{ spec=spec, text=text, n=n }) local txt = #stack local m = #metacode for i=1,#spec do - local s = spec[i] + local step = spec[i] + local s = lower(step) local d = definitions[s] if d then + if trace_structure then + report_chemistry("%s => definition: %s",step,s) + end for i=1,#d do local di = d[i] process(di.spec,di.text,1,rulethickness,rulecolor) end else - local rep, operation, special, index, upto, set, text = lpegmatch(pattern,s) + local rep, operation, special, index, upto, set, text = lpegmatch(pattern,step) + if trace_structure then + local set = set and concat(set," ") or "-" + report_chemistry("%s => rep: %s, operation: %s, special: %s, index: %s, upto: %s, set: %s, text: %s", + step,rep or "-",operation or "-",special and special ~= "" or "-",index or "-",upto or "-",set or "-",text or "-") + end if operation == "pb" then insert(pstack,variant) m = m + 1 ; metacode[m] = syntax.pb.direct @@ -339,7 +362,8 @@ local function process(spec,text,n,rulethickness,rulecolor,offset) if not t then txt, t = fetch(txt) end if t then t = molecule(processor_tostring(t)) - m = m + 1 ; metacode[m] = format('chem_%s_zero("\\chemicaltext{%s}");',operation,t) + m = m + 1 ; metacode[m] = format('chem_%s(%s,%s,"\\chemicaltext{%s}");',operation,bonds,index,t) + -- m = m + 1 ; metacode[m] = format('chem_%s_zero("\\chemicaltext{%s}");',operation,t) end elseif index then local t = text @@ -388,8 +412,8 @@ end -- -- rulethickness in points -function chemicals.start(settings) - chemicals.structures = chemicals.structures + 1 +function chemistry.start(settings) + chemistry.structures = chemistry.structures + 1 local textsize, rulethickness, rulecolor = settings.size, settings.rulethickness, settings.rulecolor local width, height, scale, offset = settings.width or 0, settings.height or 0, settings.scale or "medium", settings.offset or 0 local l, r, t, b = settings.left or 0, settings.right or 0, settings.top or 0, settings.bottom or 0 @@ -445,63 +469,73 @@ function chemicals.start(settings) scale = 0.75 * scale/625 -- metacode[#metacode+1] = format("chem_start_structure(%s,%s,%s,%s,%s,%s,%s,%s,%s,%s) ;", - chemicals.structures, + chemistry.structures, l/25, r/25, t/25, b/25, scale, tostring(settings.axis == variables.on), tostring(width), tostring(height), tostring(offset) ) -- - variant, keys, bonds, stack, rot, pstack = "six", { }, 6, { }, 1, { } + -- variant, keys, bonds, stack, rot, pstack = "six", { }, 6, { }, 1, { } + variant, keys, bonds, stack, rot, pstack = "one", { }, 1, { }, 1, { } end -function chemicals.stop() +function chemistry.stop() metacode[#metacode+1] = "chem_stop_structure ;" -- local mpcode = concat(metacode,"\n") if trace_structure then report_chemistry("metapost code:\n%s", mpcode) end - metapost.graphic(chemicals.instance,chemicals.format,mpcode) + metapost.graphic(chemistry.instance,chemistry.format,mpcode) metacode = nil end -function chemicals.component(spec,text,settings) +function chemistry.component(spec,text,settings) rulethickness, rulecolor, offset = settings.rulethickness, settings.rulecolor - local spec = settings_to_array(lower(spec)) +-- local spec = settings_to_array(lower(spec)) + local spec = settings_to_array(spec) local text = settings_to_array(text) metacode[#metacode+1] = "chem_start_component ;" process(spec,text,1,rulethickness,rulecolor) metacode[#metacode+1] = "chem_stop_component ;" end +statistics.register("chemical formulas", function() + if chemistry.structures > 0 then + return format("%s chemical structure formulas",chemistry.structures) -- no timing needed, part of metapost + end +end) + +-- interfaces + +commands.undefinechemical = chemistry.undefine +commands.definechemical = chemistry.define +commands.startchemical = chemistry.start +commands.stopchemical = chemistry.stop +commands.chemicalcomponent = chemistry.component + +-- todo: top / bottom + local inline = { ["single"] = "\\chemicalsinglebond", ["-"] = "\\chemicalsinglebond", - ["double"] = "\\chemicaldoublebond", ["--"] = "\\chemicaldoublebond", + ["double"] = "\\chemicaldoublebond", ["--"] = "\\chemicaldoublebond", -- also =? and unicode triple? ["triple"] = "\\chemicaltriplebond", ["---"] = "\\chemicaltriplebond", ["gives"] = "\\chemicalgives", ["->"] = "\\chemicalgives", ["equilibrium"] = "\\chemicalequilibrium", ["<->"] = "\\chemicalequilibrium", ["mesomeric"] = "\\chemicalmesomeric", ["<>"] = "\\chemicalmesomeric", - ["plus"] = "\\chemicalsplus", ["+"] = "\\chemicalsplus", - ["minus"] = "\\chemicalsminus", - ["space"] = "\\chemicalsspace", + ["plus"] = "\\chemicalplus", ["+"] = "\\chemicalplus", + ["minus"] = "\\chemicalminus", + ["space"] = "\\chemicalspace", } --- todo: top / bottom - -function chemicals.inline(spec) +function commands.inlinechemical(spec) local spec = settings_to_array(spec) for i=1,#spec do local s = spec[i] local inl = inline[lower(s)] if inl then - context(inl) + context(inl) -- could be a fast context.sprint else context.chemicalinline(molecule(s)) end end end - -statistics.register("chemical formulas", function() - if chemicals.structures > 0 then - return format("%s chemical structure formulas",chemicals.structures) -- no timing needed, part of metapost - end -end) |