diff options
Diffstat (limited to 'tex/context/base/chem-str.lua')
| -rw-r--r-- | tex/context/base/chem-str.lua | 134 |
1 files changed, 50 insertions, 84 deletions
diff --git a/tex/context/base/chem-str.lua b/tex/context/base/chem-str.lua index db1849c5a..fb325ccea 100644 --- a/tex/context/base/chem-str.lua +++ b/tex/context/base/chem-str.lua @@ -1,15 +1,12 @@ if not modules then modules = { } end modules ['chem-str'] = { version = 1.001, comment = "companion to chem-str.mkiv", - author = "Hans Hagen and Alan Braslau", + author = "Hans Hagen, PRAGMA-ADE, Hasselt NL", copyright = "PRAGMA ADE / ConTeXt Development Team", license = "see context related readme files" } --- 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, +-- This module in incomplete and experimental. -- We can push snippets into an mp instance. @@ -29,12 +26,12 @@ 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 -chemistry = chemistry or { } -local chemistry = chemistry +chemicals = chemicals or { } +local chemicals = chemicals -chemistry.instance = "metafun" -- "ppchtex" -chemistry.format = "metafun" -chemistry.structures = 0 +chemicals.instance = "metafun" -- "ppchtex" +chemicals.format = "metafun" +chemicals.structures = 0 local remapper = { ["+"] = "p", @@ -55,9 +52,7 @@ 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", - zbt = "text", zbn = "number", ztt = "text", ztn = "number", - mov = "transform", rot = "transform", adj = "transform", sub = "transform", - off = "transform", + mov = "transform", rot = "transform", adj = "transform", dir = "transform", sub = "transform", } local front_keys = { @@ -65,11 +60,9 @@ 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", @@ -88,16 +81,15 @@ 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 = { { "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" } }, + rz = { { "r","l_b","l_t" }, { "b","l_t","r_t" }, { "l","r_t","r_b" }, { "t","r_b","l_b" } }, prz = { { "r","l","t" }, { "b","t","r" }, { "l","r","b" }, { "t","b","l" } }, } }, @@ -105,8 +97,7 @@ 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 = { { "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" } }, + 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" } }, } }, @@ -114,8 +105,7 @@ 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 = { { "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" } }, + 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" } }, } }, @@ -123,8 +113,7 @@ 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 = { { "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" } }, + 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" } }, } }, @@ -132,8 +121,7 @@ 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 = { { "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" } }, + 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" } }, } }, @@ -159,11 +147,11 @@ local syntax = { local definitions = { } -function chemistry.undefine(name) +function chemicals.undefine(name) definitions[lower(name)] = nil end -function chemistry.define(name,spec,text) +function chemicals.define(name,spec,text) name = lower(name) local dn = definitions[name] if not dn then dn = { } definitions[name] = dn end @@ -174,7 +162,7 @@ function chemistry.define(name,spec,text) end local metacode, variant, keys, bonds, max, txt, textsize, rot, pstack -local molecule = chemistry.molecule -- or use lpegmatch(chemistry.moleculeparser,...) +local molecule = chemicals.molecule -- or use lpegmatch(chemicals.moleculeparser,...) local function fetch(txt) local st = stack[txt] @@ -208,46 +196,35 @@ local text = (equal * C(P(1)^0)) + Cc(false) local pattern = (amount + Cc(1)) * - Cs(operation/lower) * - Cs(special/lower) * ( --- operation * --- special * ( + 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 step = spec[i] - local s = lower(step) + local s = spec[i] 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,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 + local rep, operation, special, index, upto, set, text = lpegmatch(pattern,s) if operation == "pb" then insert(pstack,variant) m = m + 1 ; metacode[m] = syntax.pb.direct @@ -362,8 +339,7 @@ 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(%s,%s,"\\chemicaltext{%s}");',operation,bonds,index,t) - -- m = m + 1 ; metacode[m] = format('chem_%s_zero("\\chemicaltext{%s}");',operation,t) + m = m + 1 ; metacode[m] = format('chem_%s_zero("\\chemicaltext{%s}");',operation,t) end elseif index then local t = text @@ -412,8 +388,8 @@ end -- -- rulethickness in points -function chemistry.start(settings) - chemistry.structures = chemistry.structures + 1 +function chemicals.start(settings) + chemicals.structures = chemicals.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 @@ -469,73 +445,63 @@ function chemistry.start(settings) scale = 0.75 * scale/625 -- metacode[#metacode+1] = format("chem_start_structure(%s,%s,%s,%s,%s,%s,%s,%s,%s,%s) ;", - chemistry.structures, + chemicals.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 = "one", { }, 1, { }, 1, { } + variant, keys, bonds, stack, rot, pstack = "six", { }, 6, { }, 1, { } end -function chemistry.stop() +function chemicals.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(chemistry.instance,chemistry.format,mpcode) + metapost.graphic(chemicals.instance,chemicals.format,mpcode) metacode = nil end -function chemistry.component(spec,text,settings) +function chemicals.component(spec,text,settings) rulethickness, rulecolor, offset = settings.rulethickness, settings.rulecolor --- local spec = settings_to_array(lower(spec)) - local spec = settings_to_array(spec) + local spec = settings_to_array(lower(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", -- also =? and unicode triple? + ["double"] = "\\chemicaldoublebond", ["--"] = "\\chemicaldoublebond", ["triple"] = "\\chemicaltriplebond", ["---"] = "\\chemicaltriplebond", ["gives"] = "\\chemicalgives", ["->"] = "\\chemicalgives", ["equilibrium"] = "\\chemicalequilibrium", ["<->"] = "\\chemicalequilibrium", ["mesomeric"] = "\\chemicalmesomeric", ["<>"] = "\\chemicalmesomeric", - ["plus"] = "\\chemicalplus", ["+"] = "\\chemicalplus", - ["minus"] = "\\chemicalminus", - ["space"] = "\\chemicalspace", + ["plus"] = "\\chemicalsplus", ["+"] = "\\chemicalsplus", + ["minus"] = "\\chemicalsminus", + ["space"] = "\\chemicalsspace", } -function commands.inlinechemical(spec) +-- todo: top / bottom + +function chemicals.inline(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) -- could be a fast context.sprint + context(inl) 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) |