TestCompName = c("H", "CO3", "Cu") TestSpecName = c("H", "OH", "HCO3", "H2CO3", "CuOH") TestSpecCompNames = list( H = "H", OH = "H", HCO3 = c("H", "CO3"), H2CO3 = c("H", "CO3"), CuOH = c("H", "Cu") ) TestSpecCompStoichs = list( H = 1L, OH = -1L, HCO3 = c(1L, 1L), H2CO3 = c(2L, 1L), CuOH = c(-1L, 1L) ) TestSpecStoichMatrix = matrix(c( # H CO3 Cu 1L, 0L, 0L, -1L, 0L, 0L, 1L, 1L, 0L, 2L, 1L, 0L, -1L, 0L, 1L ), nrow = 5, ncol = 3, byrow = TRUE, dimnames = list(TestSpecName, TestCompName)) TestSpecEquation = c( "H = 1 * H" , "OH = -1 * H", "HCO3 = 1 * H + 1 * CO3", "H2CO3 = 2 * H + 1 * CO3", "CuOH = -1 * H + 1 * Cu" ) TestSpecCompNames_diff_order = list( H = "H", OH = "H", HCO3 = c("CO3", "H"),#here H2CO3 = c("CO3", "H"),#here CuOH = c("Cu", "H")#here ) TestSpecCompStoichs_diff_order = list( H = 1L, OH = -1L, HCO3 = c(1L, 1L),#here H2CO3 = c(1L, 2L),#here CuOH = c(1L, -1L)#here ) TestSpecEquation_diff_order = c( "H = 1 * H" , "OH = -1 * H", "HCO3 = 1 * CO3 + 1 * H",#here "H2CO3 = 1 * CO3 + 2 * H",#here "CuOH = 1 * Cu - 1 * H"#here ) TestSpecEquation_not_comps = c( "H = 1 * H" , "OH = 1 * OH",#here "HCO3 = 1 * H + 1 * CO3", "H2CO3 = 2 * H + 1 * CO3", "CuOH = 1 * Cu + 1 * OH"#here ) TestSpecEquation_extra_terms = c( "H = 1 * H" , "OH = -1 * H", "HCO3 = 1 * H + 1 * CO3 + 0 * Cu",#here "H2CO3 = 1 * H + 1 * H + 1 * CO3",#here "CuOH = -1 * H + 1 * Cu" )