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recalc:cpx_sturm [2016/01/29 12:06] admin |
recalc:cpx_sturm [2018/11/12 15:08] (текущий) |
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Строка 1: | Строка 1: | ||
- | ====== Cpx: by Sturm 2002 with Fe3+ calculation ====== | + | ====== Cpx: Sturm, 2002 with Fe3+ by Droop, 1983 ====== |
- | В расчет берутся: Si, Al, Fe, Ti, Cr, V, Zr, Sc, Zn, Mg, Mn, Li, Ca, Na | + | Recalculatation for Cpx. Fe3+ calculated. |
- | === Подробнее === | + | === Details === |
- | ^ Reference: | <ref:sturm02> | | + | ^ Reference | <ref:sturm02> | |
- | ^ Учитываемые компоненты | Si, Al, Fe, Ti, Cr, V, Zr, Sc, Zn, Mg, Mn, Li, Ca, Na | | + | ^ Input | SiO2_wtp, TiO2_wtp, Al2O3_wtp, FeO_wtp, MnO_wtp, MgO_wtp, CaO_wtp, K2O_wtp, Na2O_wtp, Li2O_wtp, ZnO_wtp, NiO_wtp, Cr2O3_wtp, Sc2O3_wtp | |
- | ^ Рассчитываемые компоненты | Fe_p2_pfu, Fe_p3_pfu, Si_T_pfu, Al_M1_pfu, Fe_M1_pfu, Al_T_pfu, Fe_T_pfu, Mg_M2_pfu, Fe_M2_pfu, Mg_M1_pfu | | + | ^ Results | pfu, Fe_p2_pfu, Fe_p3_pfu, Si_T_pfu, Al_M1_pfu, Fe_M1_pfu, Al_T_pfu, Fe_T_pfu, Mg_M2_pfu, Fe_M2_pfu, Mg_M1_pfu | |
- | ^[[:ppy:mod_recalc#cpx_sturm|Рассчитать]] ^ ^ | + | |
+ | <use:recalc.cpx_sturm> | ||
+ | <test:recalc.cpx_sturm> | ||
+ | |||
+ | <WRAP center round todo 60%> | ||
+ | * <del>заголовок</del> | ||
+ | * <del>краткое описание</del> | ||
+ | * <del>статья</del> | ||
+ | * <del>ссылка</del> | ||
+ | * <del>карточка</del> | ||
+ | * подробное описание | ||
+ | * <del>код</del> | ||
+ | * <del>тест</del> | ||
+ | </WRAP> | ||
+ | |||
+ | === Source === | ||
<Code linenums lang-r> | <Code linenums lang-r> | ||
- | source('recalc_common_cation.r') | + | source("recalc_common_cation.r") |
- | source('recalc_common_oxygen.r') | + | source("recalc_common_oxygen.r") |
- | recalc.cpx_sturm <- function (wtp_data, ...) | + | recalc.cpx_sturm <- function (wtp_data, ...) { |
- | { | + | |
- | ox_group <-c('SiO2_wtp','TiO2_wtp', 'Al2O3_wtp', 'FeO_wtp', 'MnO_wtp', 'MgO_wtp', 'CaO_wtp', 'K2O_wtp', 'Na2O_wtp' ,'Li2O_wtp' , 'ZnO_wtp', 'NiO_wtp', 'Cr2O3_wtp', 'Sc2O3_wtp'); | + | ox_group <- c("SiO2_wtp","TiO2_wtp", "Al2O3_wtp", "FeO_wtp", |
+ | "MnO_wtp", "MgO_wtp", "CaO_wtp", "K2O_wtp", | ||
+ | "Na2O_wtp" ,"Li2O_wtp", "ZnO_wtp", "NiO_wtp", | ||
+ | "Cr2O3_wtp", "Sc2O3_wtp"); | ||
wtp_group <- selectNames(wtp_data,ox_group); | wtp_group <- selectNames(wtp_data,ox_group); | ||
- | oxcoeff = c(2/60.0848, 2/79.8988, 3/101.96128, 1/71.8464, 1/70.9374, 1/40.3044, 1/56.0794, 1/94.1954, 1/61.97894, 1/29.8814, 1/81.3794, 1/74.7094, 3/151.9902, 3/137.91); | + | oxcoeff <- c( 2 / 60.0848, 2 / 79.8988, 3 / 101.96128, 1 / 71.8464, |
+ | 1 / 70.9374, 1 / 40.3044, 1 / 56.0794, 1 / 94.1954, | ||
+ | 1 / 61.97894, 1 / 29.8814, 1 / 81.3794, 1 / 74.7094, | ||
+ | 3 / 151.9902, 3 / 137.91 ); | ||
- | cxcoeff = c(1/60.0848, 1/79.8988, 2/101.96128, 1/71.8464, 1/70.9374, 1/40.3044, 1/56.0794, 2/94.1954, 2/61.97894, 2/29.8814, 2/81.3794, 1/74.7094, 2/151.9902, 2/137.91); | + | cxcoeff <- c( 1 / 60.0848, 1 / 79.8988, 2 / 101.96128, 1 / 71.8464, |
+ | 1 / 70.9374, 1 / 40.3044, 1 / 56.0794, 2 / 94.1954, | ||
+ | 2 / 61.97894, 2 / 29.8814, 2 / 81.3794, 1 / 74.7094, | ||
+ | 2 / 151.9902, 2 / 137.91); | ||
step1_data <- rowApply(`*`, wtp_group, oxcoeff); | step1_data <- rowApply(`*`, wtp_group, oxcoeff); | ||
- | step1_sum <- 6/rowSums(step1_data); | + | step1_sum <- 6 / rowSums(step1_data); |
step1_data <- rowApply(`*`, wtp_group, cxcoeff) * step1_sum; | step1_data <- rowApply(`*`, wtp_group, cxcoeff) * step1_sum; | ||
Строка 33: | Строка 56: | ||
sum_pfu <- rowSums(step1_data); | sum_pfu <- rowSums(step1_data); | ||
- | names(step1_data) <- c('Si_pfu','Ti_pfu', 'Al_pfu', 'Fe_pfu', 'Mn_pfu', 'Mg_pfu', 'Ca_pfu', 'K_pfu', 'Na_pfu' ,'Li_pfu' , 'Zn_pfu', 'Ni_pfu', 'Cr_pfu', 'Sc_pfu'); | + | names(step1_data) <- c("Si_pfu","Ti_pfu", "Al_pfu", "Fe_pfu", |
+ | "Mn_pfu", "Mg_pfu", "Ca_pfu", "K_pfu", | ||
+ | "Na_pfu" ,"Li_pfu" , "Zn_pfu", "Ni_pfu", | ||
+ | "Cr_pfu", "Sc_pfu"); | ||
- | fe3_door <- ifelse( | + | fe3_droop <- ifelse( |
ifelse( | ifelse( | ||
- | sum_pfu > 6/1.5, | + | sum_pfu > 6 / 1.5, |
- | 2*6*(1-(6/1.5)/sum_pfu), | + | 2 * 6 * (1 - (6 / 1.5) / sum_pfu), |
0 | 0 | ||
) > step1_data$Fe_pfu, | ) > step1_data$Fe_pfu, | ||
step1_data$Fe_pfu, | step1_data$Fe_pfu, | ||
ifelse( | ifelse( | ||
- | sum_pfu > 6/1.5, | + | sum_pfu > 6 / 1.5, |
- | 2*6*(1-(6/1.5)/sum_pfu), | + | 2 * 6 * (1 - (6 / 1.5) / sum_pfu), |
0 | 0 | ||
) | ) | ||
Строка 50: | Строка 76: | ||
fe3_lind <- ifelse( | fe3_lind <- ifelse( | ||
- | (2-step1_data$Si_pfu*((6/1.5)/sum_pfu))+ | + | (2 - step1_data$Si_pfu * ((6 / 1.5) / sum_pfu) ) + |
- | step1_data$Na_pfu*((6/1.5)/sum_pfu)- | + | step1_data$Na_pfu * ((6 / 1.5) / sum_pfu) - |
- | (step1_data$Al_pfu*((6/1.5)/sum_pfu)- | + | (step1_data$Al_pfu * ( (6 / 1.5) / sum_pfu) - |
- | (2-step1_data$Si_pfu*((6/1.5)/sum_pfu)))- | + | (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) ) - |
- | step1_data$Cr_pfu*((6/1.5)/sum_pfu)- | + | step1_data$Cr_pfu * ( (6 / 1.5) / sum_pfu) - |
- | 2*step1_data$Ti_pfu*((6/1.5)/sum_pfu)>0, | + | 2 * step1_data$Ti_pfu * ( (6 / 1.5) / sum_pfu) > 0, |
- | (2-step1_data$Si_pfu*((6/1.5)/sum_pfu))+ | + | (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) + |
- | step1_data$Na_pfu*((6/1.5)/sum_pfu)- | + | step1_data$Na_pfu * ( (6 / 1.5) / sum_pfu) - |
- | (step1_data$Al_pfu*((6/1.5)/sum_pfu)- | + | (step1_data$Al_pfu * ( (6 / 1.5) / sum_pfu) - |
- | (2-step1_data$Si_pfu*((6/1.5)/sum_pfu)))- | + | (2 - step1_data$Si_pfu * ( (6 / 1.5) / sum_pfu) ) ) - |
- | step1_data$Cr_pfu*((6/1.5)/sum_pfu)- | + | step1_data$Cr_pfu * ( (6 / 1.5) / sum_pfu) - |
- | 2*step1_data$Ti_pfu*((6/1.5)/sum_pfu), | + | 2 * step1_data$Ti_pfu * ( (6 / 1.5) / sum_pfu), |
0); | 0); | ||
- | step1_data$Fe_p3_pfu <- fe3_lind; | + | step1_data$Fe_p3_pfu <- fe3_droop; |
step1_data$Fe_p2_pfu <- step1_data$Fe_pfu - step1_data$Fe_p3_pfu; | step1_data$Fe_p2_pfu <- step1_data$Fe_pfu - step1_data$Fe_p3_pfu; | ||
Строка 72: | Строка 98: | ||
compose_data$Sum_M2_pfu <- 0.0; | compose_data$Sum_M2_pfu <- 0.0; | ||
- | compose_data <- occupation (compose_data, 'Sum_T_pfu', 2.0, c('Si_pfu', 'Al_pfu', 'Fe_p3_pfu')); | + | compose_data <- occupation (compose_data, "Sum_T_pfu", 2.0, |
+ | c("Si_pfu", "Al_pfu", "Fe_p3_pfu")); | ||
- | step1_data$Al_M1_pfu = compose_data$Al_pfu; | + | step1_data$Al_M1_pfu <- compose_data$Al_pfu; |
- | step1_data$Al_T_pfu = step1_data$Al_pfu - step1_data$Al_M1_pfu; | + | step1_data$Al_T_pfu <- step1_data$Al_pfu - step1_data$Al_M1_pfu; |
- | step1_data$Fe_T_pfu = step1_data$Fe_p3_pfu - compose_data$Fe_p3_pfu; | + | step1_data$Fe_T_pfu <- step1_data$Fe_p3_pfu - compose_data$Fe_p3_pfu; |
- | compose_data <- occupation (compose_data, 'Sum_M1_pfu', 1.0, c('Al_pfu', 'Fe_p3_pfu', 'Ti_pfu', 'Cr_pfu', 'Sc_pfu', 'Zn_pfu', 'Mg_pfu', 'Fe_p2_pfu')); | + | compose_data <- occupation (compose_data, "Sum_M1_pfu", 1.0, |
+ | c("Al_pfu", "Fe_p3_pfu", "Ti_pfu", | ||
+ | "Cr_pfu", "Sc_pfu", "Zn_pfu", | ||
+ | "Mg_pfu", "Fe_p2_pfu")); | ||
- | step1_data$Fe_M1_pfu = step1_data$Fe_p3_pfu - step1_data$Fe_T_pfu - compose_data$Fe_p3_pfu; | + | step1_data$Fe_M1_pfu <- step1_data$Fe_p3_pfu - |
+ | step1_data$Fe_T_pfu - | ||
+ | compose_data$Fe_p3_pfu; | ||
ret <- data.frame(Name = wtp_data$Name); | ret <- data.frame(Name = wtp_data$Name); | ||
Строка 88: | Строка 120: | ||
recalc.cpx_sturm.test <- function () { | recalc.cpx_sturm.test <- function () { | ||
- | src <- data.frame(Name='test', SiO2_wtp=57.10, TiO2_wtp=0.17, Al2O3_wtp=0.7, | + | src <- data.frame(Name="test", SiO2_wtp=57.10, TiO2_wtp=0.17, Al2O3_wtp=0.7, |
FeO_wtp=5.57, MnO_wtp=0.17, MgO_wtp=34.52, CaO_wtp=0.62, K2O_wtp=0.03, | FeO_wtp=5.57, MnO_wtp=0.17, MgO_wtp=34.52, CaO_wtp=0.62, K2O_wtp=0.03, | ||
Na2O_wtp=0.07, Cr2O3_wtp=0.27); | Na2O_wtp=0.07, Cr2O3_wtp=0.27); | ||
- | r <- recalc.cpx_sturm (src); | + | result <- recalc.cpx_sturm (src); |
| | ||
expect_equal(object = result$Fe_p2_pfu, 0.16, tolerance = 0.005); | expect_equal(object = result$Fe_p2_pfu, 0.16, tolerance = 0.005); |